Information card for entry 2236842

Structure parameters

• Chemical name: Bis[2-(1<i>H</i>-benzimidazol-2-yl)acetato- κ^2^<i>N</i>^3^,<i>O</i>]bis(ethanol-κ<i>O</i>)nickel(II)
• Formula: C22 H26 N4 Ni O6
• Calculated formula: C22 H26 N4 Ni O6
• SMILES: c12ccccc1[n]1[Ni]3([OH]CC)([n]4c5c(cccc5)[nH]c4CC(=O)O3)(OC(=O)Cc1[nH]2)[OH]CC
• Title of publication: Bis[2-(1<i>H</i>-benzimidazol-2-yl)acetato-κ^2^<i>N</i>^3^,<i>O</i>]bis(ethanol-κ<i>O</i>)nickel(II)
• Authors of publication: Wang, Jun; Nie, Jian-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: m1461
• a: 10.441 ± 0.005 Å
• b: 9.639 ± 0.004 Å
• c: 11.48 ± 0.005 Å
• α: 90°
• β: 98.956 ± 0.006°
• γ: 90°
• Cell volume: 1141.3 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0981
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.1072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes