Information card for entry 2004909

Structure parameters

• Chemical name: Bis-4-{(p-dimethylamino)styryl}pyridinium bis(maleonitriledithiolate) nickelate(II).
• Formula: C40 H38 N8 Ni S4
• Calculated formula: C40 H38 N8 Ni S4
• SMILES: [Ni]12(SC(=C(S2)C#N)C#N)SC(=C(S1)C#N)C#N.N(c1ccc(cc1)/C=C/c1cc[n+](cc1)C)(C)C.N(c1ccc(cc1)/C=C/c1cc[n+](cc1)C)(C)C
• Title of publication: Bis[4-(4-dimethylaminostyryl)-<i>N</i>-methylpyridinium] Bis[maleonitriledithiolato(2‒)-<i>S</i>,<i>S</i>']nickelate(II)
• Authors of publication: Fun, H.-K.; Sivakumar, K.; Shan, B.-Z.; You, X.-Z.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 5
• Pages of publication: 1152 - 1154
• a: 7.438 ± 0.001 Å
• b: 15.332 ± 0.002 Å
• c: 17.722 ± 0.003 Å
• α: 103.36 ± 0.01°
• β: 92.14 ± 0.01°
• γ: 101.7 ± 0.01°
• Cell volume: 1917.9 ± 0.5 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: 0.0566
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for all reflections: 0.1059
• Weighted residual factors for significantly intense reflections: 0.0975
• Goodness-of-fit parameter for all reflections: 0.934
• Goodness-of-fit parameter for significantly intense reflections: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No