Information card for entry 2008080

Structure parameters

• Chemical name: Bis(3,5-dimethylpyrazole-N^2^)bis(thiocyanato-N)cobalt(II) monohydrate
• Formula: C12 H18 Co N6 O S2
• Calculated formula: C12 H18 Co N6 O S2
• SMILES: [Co](n1[nH]c(cc1C)C)(n1[nH]c(cc1C)C)(N=C=S)N=C=S.O
• Title of publication: Bis(3,5-dimethylpyrazole-<i>N</i>^2^)bis(thiocyanato-<i>N</i>)cobalt(II) monohydrate
• Authors of publication: Xiao-Feng Chen; Shu-Hua Liu; Xiao-Zeng You; Hoong-Kun Fun; Kandasamy Chinnakali; Ibrahim Abdul Razak
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 1
• Pages of publication: 22 - 24
• a: 8.0204 ± 0.0003 Å
• b: 27.1881 ± 0.0011 Å
• c: 8.942 ± 0.0004 Å
• α: 90°
• β: 106.332 ± 0.001°
• γ: 90°
• Cell volume: 1871.21 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.064
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for all reflections: 0.135
• Weighted residual factors for significantly intense reflections: 0.132
• Goodness-of-fit parameter for all reflections: 1.264
• Goodness-of-fit parameter for significantly intense reflections: 1.304
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No