Information card for entry 2210359

Structure parameters

• Chemical name: Diaqua(2,2'-diamino-4,4'-bi-1,3-thiazole-κ^2^N^3^,N^3'^)nickel(II) (pyridine-2,6-dicarboxylato-κ^3^O,N,O')nickel(II) pentahydrate
• Formula: C26 H32 N10 Ni2 O15 S4
• Calculated formula: C26 H30 N10 Ni2 O15 S4
• Title of publication: Diaqua(2,2'-diamino-4,4'-bi-1,3-thiazole-κ^2^<i>N</i>^3^,<i>N</i>^3'^)nickel(II) (pyridine-2,6-dicarboxylato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')nickelate(II) pentahydrate
• Authors of publication: Liang-Jun Zhang; Bing-Xin Liu; Hang-Qun Ge; Duan-Jun Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: m2180 - m2182
• a: 11.798 ± 0.0011 Å
• b: 18.5558 ± 0.0017 Å
• c: 17.6429 ± 0.0017 Å
• α: 90°
• β: 92.964 ± 0.002°
• γ: 90°
• Cell volume: 3857.2 ± 0.6 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.104
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.12
• Weighted residual factors for all reflections included in the refinement: 0.143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes