Metal-organic Structures Research Articles

Hierarchical self-assembly and packing models of dipalladium(II,II)-based metallacapsules and metallacages based on amide-functionalized multi-pyrazoles

Hierarchical self-assembly of novel supramolecular networks has attracted considerable attention. Herein we report the design and synthesis of pyrene-based metallacapsules and metallacages via π···π interactions and a metal-coordination-driven hierarchical self-assembly approach. These metal–organic structures built from diamide- and triamide-based multi-pyrazolyl ligands and dipalladium(II,II) corners are extended into 2-D supramolecular networks by π···π packing and other weak intermolecular interactions.

Magnetic metal-organic framework (Fe3O4@ZIF-8) nanocomposites for adsorption of anionic dyes from wastewater

Since organic dyes are a major category of water contaminants, the processing of dye removal materials focuses on significant environmental significance. A metal organic structure adjusted by Fe3O4 nanoparticles (Fe3O4@MOF) has been easily synthesized and used as an adsorbent for the adsorption of Acid Red 57 (AR57) and Remazol Red (RR) anionic dyes and is used as a high-performance aqueous solution adsorbent. Fe3O4@ZIF-8, using a simple process, was synthesized at room temperature. The SEM, XRD, IR, and BET review described the Fe3O4@MOF as prepared. Fe3O4@MOF had a large specific area (475.3 m2/g), pore volume and pore size were also measured, X-ray diffraction spectroscopy (XRD), surface modification was measured using electron microscopy (SEM) scanning with a mean particle size of ∼248 nm in diameter, High chemical and thermal stability and high saturation magnetization (56.2 emu/g). Variables such as initial pH, adsorbent dosage, contact time and temperature have been studied in order to find optimal adsorption conditions for the extraction of Acid Red 57 (AR57) and Remazol Red (RR) from aqueous solutions. For the respective AR57 and RR, the optimal pH for extracting the anionic dyes tested from water solutions was 3 and 4. For AR57 and RR dyes, the overall predicted adsorption potential was 888.68 and 808.43 mgg−1, respectively, the effects of the initial solution pH, temperature, and, Initial concentration, contact time, salinity and dosing were systematically analyzed for Fe3O4@ZIF-8. These colors were ideal for acidic medium adsorption, where the zero-charge point (pHPZC) is equal to 4.3. The adsorption results were based on the isotherms of Freundlich, Langmuir, Temkin, and Dubinin–Radushkevich adsorption. For both colors, the adsorption isotherm was found to obey the Lungmuir model. For AR57 and RR, the mean adsorption energy (Ea) is 20.24 and 31.3 kJmol−1, respectively, which indicates a phase of chemisorption. It was found that the kinetics of adsorption followed the pseudo-second-order kinetic model. The adsorption process was verified to be endothermic and random by thermodynamic experiments. The use of ethanol as the solvent was also studied in the method of desorption of the adsorbed anionic dyes.

Fabrication of dopamine conjugated with protein @metal organic framework for targeted drug delivery: A biocompatible pH-Responsive nanocarrier for gemcitabine release on MCF‑7 human breast cancer cells

Metal-organic structures (MOF), modern extremely proliferous materials consisting of metal ions and organic coordinating molecules, has become a promising biomedical material because of its unusual features, including great surface area, wide pore volume, flexible functionality and superior performance for drug loading. In the current investigation, Gemcitabine Hydrochloride (Gem), an anticancer drug, and Amygdalin (Amy) were loaded into a nanocomposite structure formed from bovine serum albumin (BSA) as a center and zeolytic imidazolate framework-8 (ZIF-8) as a pH sensitive protective coating. The formed BSA-Gem@ZIF-8 and BSA-Gem-Amy@ZIF-8 were successively coated by polydopamine, chelated by Au3+ and conjugated via gallic acid (GA), acquired ZIF-8 structure as a multifunctional nanocarrier at the end.It was confirmed by different characterization methods that the nanocarrier was successfully produced. Due to the nature of ZIF-8, pH dependent releases of BSA-Gem@ZIF-8/Dopa/GA and BSA-Gem-Amy@ZIF-8/Dopa/GA were observed in in vitro studies. Cytotoxicity and apoptotic effects of these nanocarriers were evaluated using WST-1 and acridine orange staining in MCF-7 human breast cancer and HUVEC control cell lines. In-vitro cytotoxicity studies showed that both BSA-Gem@ZIF-8/Dopa/GA and BSA-Gem-Amy@ZIF-8/Dopa/GA were more effective than gemcitabine alone in MCF-7 cells with less toxicity in HUVEC cells. Additionally, both pH-responsive nanocarriers induced more apoptotic cell death in MCF-7 cells. We therefore believe that the built multifunctional nanocarrier based on ZIF-8 could be an alternative therapeutic strategy the use of gemcitabine for cancer therapy.

Synthesis, crystal structure and characterization of two new metal-organic frameworks with 1,3,5-tris[(1H-imidazol-1-yl)methyl]benzene and cyclohexane-1,3,5-tricarboxylate ligands

Two new metal-organic frameworks (MOFs) {[Cu3(timb)2(chtc)2]·14H2O}n, (I) and {[Co3(timb)2(chtc)2]·6H2O}n, (II) were hydrothermally synthesized by corresponding metal salt with mixed organic ligands of 1,3,5-tris[(1H-imidazol-1-yl)methyl]benzene (timb) and cyclohexane-1,3,5-tricarboxylic acid (H3chtc). Crystal structural analysis reveals that they exhibit varied structures. In the MOFs (I), CuII adopts an four coordination geometry, timb and cyclohexane-1,3,5-tricarboxylate ligands bridge neighboring CuII centers to result in two different one-dimensional knotted chains along the [0 − 1 2] and [1 0 − 1] directions, respectively. The two kinds of chains intersect each other vis CuII centers, resulting in a two-dimensional layered structure running parallel to the (1 2 1) plane. Adjacent layers are further linked by water moleculars via classical O–H…O hydrogen-bonding interactions, giving rise to a three-dimensional supramolecular network structure in the solid state. While in MOFs (II), the cyclohexane-1,3,5-tricarboxylate anions link the CoII cations to generate a two-dimensional sheeted metal-organic structure running parallel to the bc plane. Adjacent sheets are further bridged by timb ligands, forming a porous three-dimensional metal-organic framework with a rare (3, 4)-connected (6.82)2(62.84)3(62.8)2 topology. The solvent water molecules guest in the micropores of porous framework via water-carboxylate O–H…O hydrogen bonds. In addition, their thermal stabilities have also been investigated.

Molecular-Scale Chemical Imaging of the Orientation of an On-Surface Coordination Complex by Tip-Enhanced Raman Spectroscopy.

Metal-organic coordination structures at interfaces play an essential role in many biological and chemical systems. Understanding the molecular specificity, orientation, and spatial distribution of the coordination complexes at the nanometer scale is of great importance for effective molecular engineering of nanostructures and fabrication of functional devices with controllable properties. However, fundamental properties of such coordination systems are still rarely studied directly. In this work, we present a spectroscopic approach on the basis of tip-enhanced Raman spectroscopy (TERS) to investigate cobalt(II) tetraphenyl-porphyrine coordination species on the scale of a single molecule under ambient conditions. Coordination species anchored on gold surfaces modified with pyridine thiol self-assembled monolayers can be spectroscopically distinguished and mapped with ca. 2 nm resolution. In addition, in combination with density functional theory simulations, the adsorption configuration and molecular orientation of the coordination complexes are also revealed using TERS imaging.

Critical review on hazardous pollutants in water environment: Occurrence, monitoring, fate, removal technologies and risk assessment

Water is required for the existence of all living things. Water pollution has grown significantly, over the decades and now it has developed as a serious worldwide problem. The presence and persistence of Hazardous pollutants such as dyes, pharmaceuticals and personal care products, heavy metals, fertilizer and pesticides and their transformed products are the matter of serious environmental and health concerns. A variety of approaches have been tried to clean up water and maintain water quality. The type of pollutants present in the water determines the bulk of technological solutions. The main objective of this article was to review the occurrences and fate of hazardous contaminants (dyes, pharmaceuticals and personal care products, heavy metals, and pesticides) found in wastewater effluents. These effluents mingle with other streams of water and that are utilized for a variety of reasons such as irrigation and other domestic activities that is further complicating the issue. It also discussed traditional treatment approaches as well as current advances in hazardous pollutants removal employing graphite oxides, carbon nanotubes, metal organic structures, magnetic nano composites, and other innovative forms of useable materials. It also discussed the identification and quantification of harmful pollutants using various approaches, as well as current advancements. Finally, a risk assessment of hazardous pollutants in water is provided in terms of the human health and the environment. This data is anticipated to serve as a foundation for future improvements in hazardous pollutant risk assessment. Furthermore, future studies on hazardous pollutants must not only emphasize on the parent chemicals, as well as on their possible breakdown products in various media.

Potential of Cyanine Derived Dyes in Photodynamic Therapy.

Photodynamic therapy (PDT) is a method of cancer treatment that leads to the disintegration of cancer cells and has developed significantly in recent years. The clinically used photosensitizers are primarily porphyrin, which absorbs light in the red spectrum and their absorbance maxima are relatively short. This review presents group of compounds and their derivatives that are considered to be potential photosensitizers in PDT. Cyanine dyes are compounds that typically absorb light in the visible to near-infrared-I (NIR-I) spectrum range (750–900 nm). This meta-analysis comprises the current studies on cyanine dye derivatives, such as indocyanine green (so far used solely as a diagnostic agent), heptamethine and pentamethine dyes, squaraine dyes, merocyanines and phthalocyanines. The wide array of the cyanine derivatives arises from their structural modifications (e.g., halogenation, incorporation of metal atoms or organic structures, or synthesis of lactosomes, emulsions or conjugation). All the following modifications aim to increase solubility in aqueous media, enhance phototoxicity, and decrease photobleaching. In addition, the changes introduce new features like pH-sensitivity. The cyanine dyes involved in photodynamic reactions could be incorporated into sets of PDT agents.

Light-Emitting Metal-Organic Halide 1D and 2D Structures: Near-Unity Quantum Efficiency, Low-Loss Optical Waveguide and Highly Polarized Emission.

Organic-inorganic metal-halide materials (OIMMs) with zero-dimensional (0D) structures offer useful optical properties with a wide range of applications. However, successful examples of 0D structural OIMMs with well-defined optical performance at the micro-/nanometer scale are limited. We prepared one-dimensional (1D) (DTA)2 SbCl5 ⋅DTAC (DTAC=dodecyl trimethyl ammonium chloride) single-crystal microrods and 2D microplates with a 0D structure in which individual (SbCl5 )2- quadrangular units are completely isolated and surrounded by the organic cation DTA+ . The organic molecular unit with a long alkyl chain (C12 ) and three methyl groups enables microrod and -plate formation. The single-crystal microrods/-plates exhibit a broadband orange emission peak at 610 nm with a photoluminescence quantum yield (PLQY) of ca. 90 % and a large Stokes shift of 260 nm under photoexcitation. The broad emission originates from self-trapping excitons. Spatially resolved PL spectra confirm that these microrods exhibit an optical waveguide effect with a low loss coefficient (0.0019 dB μm-1 ) during propagation, and linear polarized photoemission with a polarization contrast (0.57).

Topological aspects of metal-organic structure with the help of underlying networks

Metal–organic structures/Networks (MONs) are useful in modern chemistry. It is common to use as a storehouse for the storage of gases, it plays a role in the separation of gases and purification. The most important feature of MONs is that it acts as a predecessor for the development of a large number of nanostructures. Furthermore, MONs reflect very useful chemical-physical properties, changing organic ligands, exchanging of ions, etc. The method used to forecast the natural behaviors among the chemical-physical specifications of the chemical compounds in their primitive network is known as topological indices or TIs. This numerical quantity is used in the method of forecasting. TIs of MONs shows a key role in the environmental and theoretical pharmacology and chemistry. Line graphs also have powerful applications in chemistry and predicting the boiling point of cycloalkanes. In this paper, we study Randić, atom bound connectivity, geometric arithmetic, Zagreb, Multiplicative Zagreb, redefined Zagreb indices and Zagreb coindices for line graph of first organic network L(MON1(χ)) and second organic network L(MON2(χ)),χ⩾2.

Chemical Insights into Interfacial Effects in Inorganic Nanomaterials.

The interfaces between inorganic functional nanomaterials and their surface modifiers play important roles in determining their chemical and physical properties. In numerous situations, interfaces created by organic ligands or secondary inorganic components on inorganic nanomaterials induce significant effects to promote their performances. However, it still remains challenging to understand those interfacial effects at the molecular level. Herein, strategies via the design of model inorganic nanomaterials with well-defined and detectable interfaces to simplify the investigation of interfacial effects in inorganic nanomaterials are summarized. While atomically precise metal nanoclusters enable "seeing" how organic ligands are coordinated on metal surface to create nanoscale metal-organic interfaces, ultrathin low-dimensional nanomaterials modified with organic ligands make it possible to extract the metal-organic interface structure from the average signal to investigate how steric and electronic effects enhance catalysis. The molecular mechanisms of the interfacial effects in supported metal catalysts are disclosed by designing two unique structures of supported catalysts. The interfacial engineering approach will be further extended to optimize the performance and stability of perovskite solar cells. Finally, a perspective on the development of operando characterization techniques is provided to track the dynamic interfacial structures during catalysis.

Carbon Nanomaterials With Hollow Structures: A Mini-Review.

Carbon nanomaterials with high electrical conductivity, good chemical, and mechanical stability have attracted increasing attentions and shown wide applications in recent years. In particularly, hollow carbon nanomaterials, which possess ultrahigh specific surface area, large surface-to-volume ratios, and controllable pore size distribution, will benefit to provide abundant active sites, and mass loading vacancy, accelerate electron/ion transfer as well as contribute to the specific density of energy storage systems. In this mini-review, we summarize the recent progresses of hollow carbon nanomaterials by focusing on the synthesis approaches and corresponding nanostructures, including template-free and hard-template carbon hollow structures, metal organic framework-based hollow carbon structures, bowl-like and cage-like structures, as well as hollow fibers. The design and synthesis strategies of these hollow carbon nanomaterials have been systematically discussed. Finally, the emerging challenges and future prospective for developing advanced hollow carbon structures were outlined.

Immobilization of α-amylase enzyme on a protein @metal–organic framework nanocomposite: A new strategy to develop the reusability and stability of the enzyme

Metal-organic structures (MOFs) have been designed for a wide range of applications due to their high porosity, large surface area, and flexibility. For the first time in this work, the successful immobilization of α-amylase is confirmed by the use of ZIF-8 as easy and good support. The morphology, functional groups, and chemical composition of the support and immobilized α-amylase were tested using different methods such as scanning electron microscopy (SEM), Fourier transform infrared spectroscopy (FTIR), and thermal gravimetric analysis (TGA). The enzymatic activities of the immobilized olibanum-bovine serum albumin@zeolitic imidazolate frameworks nanocomposite (OLB/BSA@ZIF-8)-α-amylase were compared with the free one. The pH and thermal stability of the OLB/BSA@ZIF-8-α-amylase were significantly enhanced compared to the free enzyme. The OLB/BSA@ZIF-8-α-amylase displayed excellent long-term storage stability, which could protect more than 90% of the initial activity for 8 weeks. Besides, the OLB/BSA@ZIF-8-α-amylase had high reusability, which showed a high degree of activity (more than 81%) after 20 cycles. This is the first study that uses OLB/BSA@ZIF-8 nanocomposite as immobilizing support for the immobilization of α-amylase. Improved catalytic efficiency (Vmax/Km) values, reusability, and storage stability of immobilized α-amylase can make it suitable in industrial and biotechnological applications.

RETRACTED ARTICLE: A Luminescent Zn(II)-Organic Framework: Selective Sensing of 2,4,6-trinitrophenol and Curing Importance Combined with Ginsenoside on Sepsis Mice

In the current study, via using a mixed-ligand approach, a new Zn(II)-containing metal–organic structure (MOF), whose chemical formula is [[Zn3(μ3-cpboda)2(1,4-bib)5(H2O)2]·DMF]n (1, H3cpboda = 3,3′-((5-carboxy-1,3-phenylene)bis(oxy))dibenzoic acid, 1,4-bib = 1,4-di(1H-imidazol-1-yl)benzene)), has formed in the present of solvothermal environment and determined by single-crystal X-ray and elemental analysis (EA). Fluorescence measurements prove that complex 1 shows quick, hypersensitive, and high-selective luminescence quenching responses to 2,4,6-trinitrophenol (TNP) under aqueous solution condition. The treatment activity of the compound combined with ginsenoside on sepsis mice was measured and the related principle was detected in the meantime. The molecular docking simulation shows that both the carboxyl and five-membered ring containing nitrogen groups have the activities to the protein, which could explain the experimental observations.

Hydrophobic mixed-metal MOF-derived carbon sponges

We report the preparation of carbon sponges with highly hydrophobic and superhydrophobic metal nanoparticles from melamine–formaldehyde sponges coated with metal–organic structures based on Co, Ni and Ni–Co with rod morphology using a simple one-step carbonization method at temperatures of 300, 500 and 700 °C.

Micro-rod single-crystalline phthalocyanine for photodetector development

This paper reports a development of metallo-phthalocyanime complexes (MPcs) based photodetector. Metal-organic semiconductor-metal structure (MSM)-based photodetectors were developed using β-MPc crystals (β-CuPc and β-ZnPc). Dark current reduction accompanied photocurrent enhancement was observed in the β-ZnPc device by comparison to the β-CuPc device. The β-ZnPc photodetector exhibits good photosensitive performance with high responsivity, 11.6 AW-1, and external quantum efficiency1.3 × 104% under ultraviolet illumination. The photocurrent is linear to light intensity under white light illumination. The detector shows an excellent response speed through fast rise and decay time (τr = 0.142 s and τd = 0.186 s).

Mechanically interlocked 3D multi-material micromachines

Metals and polymers are dissimilar materials in terms of their physicochemical properties, but complementary in terms of functionality. As a result, metal-organic structures can introduce a wealth of novel applications in small-scale robotics. However, current fabrication techniques are unable to process three-dimensional metallic and polymeric components. Here, we show that hybrid microstructures can be interlocked by combining 3D lithography, mold casting, and electrodeposition. Our method can be used to achieve complex multi-material microdevices with unprecedented resolution and topological complexity. We show that metallic components can be combined with structures made of different classes of polymers. Properties of both metals and polymers can be exploited in parallel, resulting in structures with high magnetic responsiveness, elevated drug loading capacity, on-demand shape transformation, and elastic behavior. We showcase the advantages of our approach by demonstrating new microrobotic locomotion modes and controlled agglomeration of swarms.

Bifunctional Electrocatalyst for Aqueous Type Rechargeable Li-Air Batteries Derived from Copper Chelate Polymer

1. Introduction Lithium-air (Li-O2) batteries have attracted focus of many research groups worldwide due to their higher theoretical gravimetric energy density in comparison to the current Li-ion batteries. With the three times higher energy density, such batteries could power electrical vehicles up to 500 km distance on a single charge. Commercialization of these batteries is hindered by the development of bifunctional catalyst that can efficiently catalyze both oxygen reduction reaction (ORR) and oxygen evolution reaction (OER). Various metal and oxide nanoparticles have been studied as a catalyst. Recently, metal-organic framework structures have shown good catalytic properties. Here, we propose to use a chelate polymer as the template that provides well-dispersed metal oxides. Chelate polymers are peculiar metal-organic hybrid structures. The most extensively studied chelate polymer is copper dithiooxamide (Cu(dto).1) Herein, a new method is proposed for preparing an efficient bifunctional electrocatalyst well dispersed in a carbon matrix. The method includes in situ electrochemical transformation of Cu(dto) compound into copper oxides in alkaline solutions. 2. Experimental Cu(dto) was synthesized by mixing corresponding aqueous solutions of metal salts and ethanolic solution of dto in 1:1 stoichiometric ratio. The compounds were characterized by powder X-ray diffraction (XRD), SEM-EDX, and cyclic voltammetry (CV). The active material slurry was deposited on the surface of a glassy carbon electrode (GCE) used as a working electrode. The catalytic activities of the electrodes were studied by linear swept voltammetry (LSV) and rotating disk electrode (RDE) methods. All experiments were performed in an aqueous 1M KOH solution, with/without oxygen feeding in a three-electrode glass cell. 3. Results and Discussion Cu(dto) compounds were obtained using several copper precursors. The yields obtained from CuSO4, Cu(NO3)2, Cu(CH3COO)2, and CuCl2 precursors were 100%, 99%, 94%, and 100%, respectively. Upon electrochemical cycling, the compound underwent in-situ decomposition to Cu(I) and Cu(II) resulting in the formation of nanostructured copper oxides dispersed on acetylene black, as shown in Fig.1. In this Cu(dto)-derived (Cu(dto)-DO), copper oxide electrocatalyst, CuO and Cu2O are proposed to be the active catalytic species for OER and ORR, respectively. This catalytic system exhibited superior OER performance, indicated by a low overpotential of 400 mV at 10 mA/cm2 and a small Tafel slope of 81 mV/dec in a nitrogen-saturated 1 M KOH solution. It gives a seven-fold higher current density per gram of the metal with comparison to the best-performing IrO2/C as shown in Figure 2.2) The ORR performance of this catalyst showed an onset potential and a half-wave potential of 0.81 and 0.72 V vs. RHE, respectively, in an oxygen-saturated 1 M KOH. The half-wave potential of this catalyst is comparable with the best-performing Pt/C catalyst.3) The results reveal a new way to produce a highly active noble-metal-free bifunctional catalytic system in a carbon network on a large scale using in-situ electrochemical transformation. This catalytic system has the potential to be applied as the active component of a cathode in aqueous type metal-air batteries. References 1) Abboudi M. et al., Synthesis of d-Transition Metal Sulfides from Amorphous Dithiooxamide Complexes. J. Solid State Chem., 109, 70 (1994).2) R.P. Putra, H. Horino, I.I. Rzeznicka, An Efficient Electrocatalyst for Oxygen Evolution Reaction in Alkaline Solutions Derived from a Copper Chelate Polymer via in situ Electrochemical Transformation, Catalysts, 10, 233 (2020).3) R.P. Putra, Y. Samejima, S. Nakabayashi, H. Horino, I.I. Rzeznicka, Copper-based Electrocatalyst Derived from a Copper Chelate Polymer for Oxygen Reduction Reaction in Alkaline Solutions, Catalysis Today, (2020). Acknowledgements The authors would like to thank Shibaura Institute of Technology and Japan Society for Promotion of Science under the JSPS KAKENHI Grant Number JP 20K05689 for financial supports. Figure 1

Synthesis of the chiral stationary phase based on functionalized ZIF-8 with amylose carbamate

Abstract

Zinc Oxide Quantum Dots Embedded Porous Carbon Nanosheets for High-Capacity and Ultrastable Lithium-Ion Battery Anodes

Summary Carbon materials are widely used in lithium-ion batteries (LIBs) due to their high performance, safety, and reliability, along with low cost and easy availability. However, the low lithium storage capability of bare carbon materials limits the further improvement of the capacity of LIBs. Here, we report a facile self-poring strategy for the synthesis of trace amounts of ZnO quantum dots (QDs) (∼5 nm) embedded in highly porous carbon nanosheets by using the metal centers of a Zn-based metal-organic ligand structure as a pore-creating agent. Benefiting from the synergistic functions of nanostructuring, heterocomponent doping, and QDs effects, the as-prepared materials deliver superior lithium storage properties in comparison with the existing carbon-based materials—2,300 mAh g−1 at 0.2 A g−1, ∼600 mAh g−1 at 10 A g−1, and ∼700 mAh g−1 after 3,000 cycles at 5 A g−1—and are promising candidates for next-generation high-capacity LIB electrodes.

Constructing Asymmetrical Ni-Centered {NiN2O4} Octahedra in Layered Metal-Organic Structures for Near-Room-Temperature Single-Phase Magnetoelectricity.

Layered metal-organic structures (LMOSs) as magnetoelectric (ME) multiferroics have been of great importance for realizing new functional devices in nanoelectronics. Until now, however, achieving such room-temperature and single-phase ME multiferroics in LMOSs have proven challenging due to low transition temperature, poor spontaneous polarization, and weak ME coupling effect. Here, we demonstrate the construction of a LMOS in which four Ni-centered {NiN2O4} octahedra form in layer with asymmetric distortions using the coordination bonds between diphenylalanine molecules and transition metal Ni(II). Near room-temperature (283 K) ferroelectricity and ferromagnetism are observed to be both spontaneous and hysteretic. Particularly, the multiferroic LMOS exhibits strong magnetic-field-dependent ME polarization with low-magnetic-field control. The change in ME polarization with increasing applied magnetic field μ0H from 0 to 2 T decreases linearly from 0.041 to 0.011 μC/cm2 at the strongest ME coupling temperature of 251 K. The magnetic domains can be manipulated directly by applied electric field at 283 K. The asymmetrical distortion of Ni-centered octahedron in layer spurs electric polarization and ME effect and reduces spin frustration in the octahedral geometry due to spin-charge-orbital coupling. Our results represent an important step toward the production of room-temperature single-phase organic ME multiferroics.