Information card for entry 2202876

Structure parameters

• Formula: C20 H23 N8 Ni O7.5 S4
• Calculated formula: C20 H23 N8 Ni O7.5 S4
• Title of publication: Bis(2,2'-diamino-4,4'-bi-1,3-thiazole-κ^2^<i>N,N</i>')(phthalato-κ^2^<i>O,O</i>')nickel(II) 3.5-hydrate
• Authors of publication: Bing-Xin Liu; Duan-Jun Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 12
• Pages of publication: m1096 - m1098
• a: 14.5564 ± 0.0014 Å
• b: 13.5072 ± 0.0012 Å
• c: 15.7929 ± 0.0011 Å
• α: 90°
• β: 115.43 ± 0.012°
• γ: 90°
• Cell volume: 2804.3 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.065
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes