Information card for entry 2013348

Structure parameters

• Chemical name: trans-Diaquabis(thiosemicarbazido-κ^2^N,S)nickel(II) dimaleate dihydrate
• Formula: C10 H24 N6 Ni O12 S2
• Calculated formula: C10 H24 N6 Ni O12 S2
• SMILES: C1(N[NH2][Ni]2([S]=1)([NH2]NC(=[S]2)N)([OH2])[OH2])N.C(=O)(/C=C\C(=O)[O-])O.O.C(=O)(/C=C\C(=O)[O-])O.O
• Title of publication: <i>trans</i>-Diaquabis(thiosemicarbazido-κ^2^<i>N</i>,<i>S</i>)nickel(II) dimaleate dihydrate
• Authors of publication: Sheng-Li Li; Anwar Usman; Ibrahim A. Razak; Hoong-Kun Fun; Jie-Ying Wu; Yu-Peng Tian; Min-Hua Jiang; Zu-Yao Chen
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 5
• Pages of publication: m181 - m183
• a: 13.0487 ± 0.0003 Å
• b: 5.9574 ± 0.0001 Å
• c: 14.0254 ± 0.0003 Å
• α: 90°
• β: 109.078 ± 0.001°
• γ: 90°
• Cell volume: 1030.4 ± 0.04 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 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: 0.0532
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.1103
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes