Information card for entry 2018294

Structure parameters

• Chemical name: <i>trans</i>-bis(1<i>H</i>-benzimidazole-2-carboxylato- κ^2^<i>N</i>^3^,<i>O</i>)bis(ethanol-κ<i>O</i>)cadmium
• Formula: C20 H22 Cd N4 O6
• Calculated formula: C20 H22 Cd N4 O6
• SMILES: C1(=O)c2[n](c3ccccc3[nH]2)[Cd]2([n]3c(C(=O)O2)[nH]c2ccccc32)(O1)([OH]CC)[OH]CC
• Title of publication: Two mononuclear octahedral complexes with benzimidazole-2-carboxylate: supramolecular networks constructed by hydrogen bonds
• Authors of publication: Fan, Jun; Cai, Song-Liang; Zheng, Sheng-Run; Zhang, Wei-Guang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: m346 - m350
• a: 5.4761 ± 0.0011 Å
• b: 10.477 ± 0.002 Å
• c: 19.896 ± 0.004 Å
• α: 75.31 ± 0.03°
• β: 88.67 ± 0.03°
• γ: 78.54 ± 0.03°
• Cell volume: 1081.7 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0672
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1547
• Weighted residual factors for all reflections included in the refinement: 0.1611
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes