Information card for entry 2004905

Structure parameters

• Chemical name: Bis(1-methyl-4-methylpyridinium) bis(maleonitriledithiolate) nickel(II).
• Formula: C22 H20 N6 Ni S4
• Calculated formula: C22 H20 N6 Ni S4
• SMILES: Cc1cc[n+](cc1)C.Cc1cc[n+](cc1)C.N#CC1=C(C#N)S[Ni]2(S1)SC(=C(S2)C#N)C#N
• Title of publication: Bis(1,4-dimethylpyridinium) Bis(maleonitriledithiolato)nickelate(II)
• Authors of publication: Shan, B.-Z.; Zhang, X.-M.; You, X.-Z.; Fun, H.-K.; Sivakumar, K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 5
• Pages of publication: 1148 - 1150
• a: 8.534 ± 0.001 Å
• b: 8.765 ± 0.001 Å
• c: 9.975 ± 0.001 Å
• α: 87.56 ± 0.01°
• β: 64.89 ± 0.01°
• γ: 72.26 ± 0.01°
• Cell volume: 640.23 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0347
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for all reflections: 0.0984
• Weighted residual factors for significantly intense reflections: 0.0971
• Goodness-of-fit parameter for all reflections: 1.077
• Goodness-of-fit parameter for significantly intense reflections: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No