Information card for entry 2224227

Structure parameters

• Chemical name: Diaquabis(2,2'-bi-1<i>H</i>-imidazole-κ^2^<i>N</i>^3^,<i>N</i>^3'^)nickel(II) bis(3-methylbenzoate) 3-methylbenzoic acid disolvate
• Formula: C44 H46 N8 Ni O10
• Calculated formula: C44 H40 N8 Ni O10
• Title of publication: Diaquabis(2,2'-bi-1<i>H</i>-imidazole-κ^2^<i>N</i>^3^,<i>N</i>^3'^)nickel(II) bis(3-methylbenzoate) 3-methylbenzoic acid disolvate
• Authors of publication: Hui, Zhou
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: m1497
• a: 34.747 ± 0.015 Å
• b: 9.237 ± 0.004 Å
• c: 14.099 ± 0.006 Å
• α: 90°
• β: 93.564 ± 0.008°
• γ: 90°
• Cell volume: 4516 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1274
• Residual factor for significantly intense reflections: 0.0914
• Weighted residual factors for significantly intense reflections: 0.2516
• Weighted residual factors for all reflections included in the refinement: 0.2688
• 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: Yes
• Has Fobs: Yes