(4-Amino-pyridine-κN 1)(2,2'-bi-pyridine-κ2 N,N')(2,2':6',2''-terpyridine-κ3 N,N',N'')ruthenium(II) bis-(hexa-fluorido-phosphate) unknown solvate.

William W Brennessel,Robert N Garner,Carly R Reed

doi:10.1107/s241431462100287x

William W Brennessel, Robert N Garner + Show 1 more

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https://doi.org/10.1107/s241431462100287x

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Abstract

The title compound, [Ru(C5H6N2)(C10H8N2)(C15H11N3)](PF6)2 solvent, crystallizes in the triclinic space group P with one dicationic Ru complex, two PF6 - anions, and undefined solvent in the asymmetric unit. The cation and anions are linked via N-H⋯F hydrogen bonding. One PF6 - anion is disordered over two positions, with occupancies 0.634 (8) and 0.366 (8). The solvent, which is located in channels in the crystal, is highly disordered. Reflection contributions from the solvent were added to the calculated structure factors using the SQUEEZE routine [Spek (2015) Acta Cryst. C71, 9-18] of the program PLATON, which determined there to be 59 electrons in 264 Å3 treated this way per unit cell. Because the exact identity and amount of solvent were unknown, no solvent was included in the atom list or mol-ecular formula.

Highlights

The title compound, [Ru(C5H6N2)(C10H8N2)(C15H11N3)](PF6)2 solvent, crystallizes in the triclinic space group P1 with one dicationic Ru complex, two PF6À anions, and undefined solvent in the asymmetric unit
One PF6À anion is disordered over two positions, with occupancies 0.634 (8) and 0.366 (8)
Because the exact identity and amount of solvent were unknown, no solvent was included in the atom list or molecular formula

Summary

DÁ Á ÁA

F7Á Á ÁF12 is modeled as disordered over two positions [occupancies: 0.634 (8) for P2/F7Á Á ÁF12 and 0.366 (8) for P20/ F70Á Á ÁF120]. Analogous bond lengths and angles were restrained to be similar. Anisotropic displacement parameters for proximal atoms were restrained to be similar and restrained toward the expected motion relative to bond direction. Reflection contributions from highly disordered solvent, located in channels parallel to [101], were added to the calculated structure factors using the SQUEEZE routine (Spek, 2015) of the program PLATON, which determined there to be 59 electrons in 264 A 3 treated this way per unit cell. Because the exact identity and amount of solvent were unknown, no solvent was included in the atom list or molecular formula.

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