Information card for entry 2231546

Structure parameters

• Chemical name: Diaqua(5-carboxybenzene-1,3-dicarboxylato-κ^2^<i>O</i>^1^,<i>O</i>^1'^)(6,6'- dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')nickel(II) heptahydrate
• Formula: C21 H34 N2 Ni O15
• Calculated formula: C21 H34 N2 Ni O15
• Title of publication: Diaqua(5-carboxybenzene-1,3-dicarboxylato-κ^2^<i>O</i>^1^,<i>O</i>^1'^)(6,6'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')nickel(II) heptahydrate
• Authors of publication: Shan, Wen-Wen; Xiong, Han-Lin; Mei, Chong-Zhen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: m1244 - m1245
• a: 7.4358 ± 0.0005 Å
• b: 19.9044 ± 0.0007 Å
• c: 18.7547 ± 0.0012 Å
• α: 90°
• β: 100.748 ± 0.006°
• γ: 90°
• Cell volume: 2727.1 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0552
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes