Information card for entry 2217802

Structure parameters

• Common name: Bis(mefenamato-O)bis(3-pyridylmethanol-N,O)cadmium(II)
• Chemical name: catena-Poly[[bis[2-(2,3-dimethylanilino)benzoato-κO]cadmium(II)]-di-μ- 3-pyridylmethanol-κ^2^N:O;κ^2^O:N]
• Formula: C42 H42 Cd N4 O6
• Calculated formula: C42 H42 Cd N4 O6
• SMILES: [Cd]1(OC(=O)c2c(Nc3c(c(ccc3)C)C)cccc2)(OC(=O)c2ccccc2Nc2c(c(ccc2)C)C)([OH]Cc2ccc[n](c2)[Cd](OC(=O)c2ccccc2Nc2c(c(ccc2)C)C)(OC(=O)c2ccccc2Nc2c(c(ccc2)C)C)[OH]Cc2ccc[n]1c2)([n]1cc(CO)ccc1)[OH]Cc1cccnc1
• Title of publication: <i>catena</i>-Poly[[bis[2-(2,3-dimethylanilino)benzoato-κ<i>O</i>]cadmium(II)]-di-μ-3-pyridylmethanol-κ^2^<i>N</i>:<i>O</i>;κ^2^<i>O</i>:<i>N</i>]
• Authors of publication: Moncol, Jan; Mikloš, Dušan; Segľa, Peter; Koman, Marian; Lis, Tadeusz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 3
• Pages of publication: m440 - m441
• a: 6.829 ± 0.002 Å
• b: 7.765 ± 0.002 Å
• c: 16.93 ± 0.004 Å
• α: 79.25 ± 0.03°
• β: 85.31 ± 0.03°
• γ: 86.71 ± 0.03°
• Cell volume: 878.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0846
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections included in the refinement: 0.0869
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes