Information card for entry 2215174

Structure parameters

• Chemical name: {[(5-Bromo-2-oxidophenyl)methyleneamino]methanesulfonato- κ^3^O,N,O'}(methanol-κO)(1,10-phenanthroline-κ^2^N,N')cadmium(II)
• Formula: C21 H18 Br Cd N3 O5 S
• Calculated formula: C21 H18 Br Cd N3 O5 S
• SMILES: [Cd]123(Oc4ccc(Br)cc4C=[N]2CS(=O)(=O)O1)([n]1cccc2ccc4ccc[n]3c4c12)[OH]C
• Title of publication: {[(5-Bromo-2-oxidophenyl)methyleneamino]methanesulfonato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>'}(methanol-κ<i>O</i>)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium(II)
• Authors of publication: Jin-Sheng Xu; Chun-Hua Zhang; Dai-Zhi Kuang; Yong-Lan Feng; Yun-Lin Peng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: m2250 - m2250
• a: 18.712 ± 0.003 Å
• b: 13.801 ± 0.001 Å
• c: 8.3681 ± 0.0012 Å
• α: 90°
• β: 97.791 ± 0.002°
• γ: 90°
• Cell volume: 2141.1 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 7
• 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: 0.0823
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes