Information card for entry 2208461

Structure parameters

• Chemical name: Bis(thiocyanato-κN)bis(2,2'-thiodipyridine-κ^2^N,N')nickel(II) monohydrate
• Formula: C22 H18 N6 Ni O S4
• Calculated formula: C22 H16 N6 Ni O S4
• Title of publication: Bis(thiocyanato-κ<i>N</i>)bis(2,2'-thiodipyridine-κ^2^<i>N</i>,<i>N</i>')nickel(II) monohydrate
• Authors of publication: Zhao, Qi-Hua; Mu, Xiu-Mei; Zhang, Mei-Su; Fang, Rui-Bing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: m615 - m616
• a: 8.3379 ± 0.0005 Å
• b: 29.3927 ± 0.0019 Å
• c: 10.2119 ± 0.0007 Å
• α: 90°
• β: 95.147 ± 0.001°
• γ: 90°
• Cell volume: 2492.6 ± 0.3 ų
• Cell temperature: 289 ± 2 K
• Ambient diffraction temperature: 289 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes