Information card for entry 2204890

Structure parameters

• Chemical name: Dipotassium hexakis({2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato}nickel(II)) tetracyanonickel(II) methanol hexasolvate dihydrate
• Formula: C106 H112 K2 N16 Ni7 O20
• Calculated formula: C106 H112 K2 N16 Ni7 O20
• SMILES: [K]123([O]4c5ccccc5C=[N]5CC[N]6[Ni]45[O]1c1ccccc1C=6)([O]1c4ccccc4C=[N]4CC[N]5[Ni]14[O]2c1ccccc1C=5)[O]1c2ccccc2C=[N]2CC[N]4[Ni]12[O]3c1ccccc1C=4.[K]123([O]4c5ccccc5C=[N]5CC[N]6[Ni]45[O]1c1ccccc1C=6)([O]1c4ccccc4C=[N]4CC[N]5[Ni]14[O]2c1ccccc1C=5)[O]1c2ccccc2C=[N]2CC[N]4[Ni]12[O]3c1ccccc1C=4.CO.[Ni](C#N)(C#N)(C#N)C#N.O.OC.OC.CO.CO.CO.O
• Title of publication: Dipotassium hexakis({2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato}nickel(II)) tetracyanonickelate(II) methanol hexasolvate dihydrate
• Authors of publication: Skovgaard, Signe; Bond, Andrew D.; McKenzie, Christine J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 1
• Pages of publication: m135 - m137
• a: 14.3214 ± 0.0014 Å
• b: 24.855 ± 0.002 Å
• c: 29.709 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10575.2 ± 1.7 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1476
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections included in the refinement: 0.1451
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes