Information card for entry 2241974

Structure parameters

• Chemical name: Bis[tris(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')nickel(II)] bis(7,7,8,8-tetracyanoquinonedimethane radical anion) bi[7,7,8,8-tetracyanoquinonedimethanide] hexahydrate
• Formula: C108 H76 N28 Ni2 O6
• Calculated formula: C108 H76 N28 Ni2 O6
• Title of publication: Disorder of the dimeric TCNQ‒TCNQ unit in the crystal structure of [Ni(bpy)~3~]~2~(TCNQ‒TCNQ)(TCNQ)~2~·6H~2~O (TCNQ is 7,7,8,8-tetracyanoquinodimethane)
• Authors of publication: Černák, Juraj; Kuchár, Juraj; Hegedüs, Michal
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 1
• Pages of publication: 8 - 12
• a: 12.4034 ± 0.0004 Å
• b: 13.2921 ± 0.0004 Å
• c: 15.4869 ± 0.0004 Å
• α: 88.828 ± 0.003°
• β: 86.336 ± 0.003°
• γ: 73.586 ± 0.003°
• Cell volume: 2444.21 ± 0.13 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.091
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes