Information card for entry 2230906

Structure parameters

• Chemical name: Diaqua[5,5'-dicarboxy-2,2'-(propane-1,3-diyl)bis(1<i>H</i>-imidazole-4- carboxylato)]nickel(II) dihydrate
• Formula: C13 H18 N4 Ni O12
• Calculated formula: C13 H18 N4 Ni O12
• Title of publication: Diaqua[5,5'-dicarboxy-2,2'-(propane-1,3-diyl)bis(1<i>H</i>-imidazole-4-carboxylato)]nickel(II) dihydrate
• Authors of publication: Jin, Guang-Hua; Li, Xifeng; Hu, Chunyue; Hu, Lixin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: m988
• a: 8.9852 ± 0.0018 Å
• b: 9.4392 ± 0.0019 Å
• c: 12.538 ± 0.003 Å
• α: 108.81 ± 0.03°
• β: 92.34 ± 0.03°
• γ: 116.18 ± 0.03°
• Cell volume: 882.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0466
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes