Information card for entry 2234089

Structure parameters

• Chemical name: Bis(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)bis[2-(naphthalen-1-yl)acetato-\ κ^2^<i>O</i>,<i>O</i>']nickel(II) monohydrate
• Formula: C38 H32 N4 Ni O5
• Calculated formula: C38 H32 N4 Ni O5
• SMILES: C1(Cc2cccc3c2cccc3)=[O][Ni]2([n]3c[nH]c4c3cccc4)(O1)([O]=C(Cc1cccc3c1cccc3)O2)[n]1c[nH]c2c1cccc2.O
• Title of publication: Bis(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)bis[2-(naphthalen-1-yl)acetato-κ^2^<i>O</i>,<i>O</i>']nickel(II) monohydrate
• Authors of publication: Yin, Fu-Jun; Han, Li-Jun; Hong, Zhao; Xu, Xing-You; Ren, Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: m416
• a: 11.573 ± 0.004 Å
• b: 19.991 ± 0.007 Å
• c: 14.29 ± 0.005 Å
• α: 90°
• β: 105.903 ± 0.004°
• γ: 90°
• Cell volume: 3179.5 ± 1.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0886
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.1215
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes