Information card for entry 2229695

Structure parameters

• Chemical name: Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')[2-(4- sulfonatoanilino)acetato-κ<i>O</i>]copper(II) dihydrate
• Formula: C32 H27 Cu N5 O7 S
• Calculated formula: C32 H27 Cu N5 O7 S
• SMILES: [Cu]12(OC(=O)CNc3ccc(S(=O)(=O)[O-])cc3)([n]3cccc4ccc5ccc[n]1c5c34)[n]1cccc3ccc4ccc[n]2c4c13.O.O
• Title of publication: Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')[2-(4-sulfonatoanilino)acetato-κ<i>O</i>]copper(II) dihydrate
• Authors of publication: Lu, Yue; Li, Xing; Bing, Yue; Zha, Mei-Qin; Li, Yin-Xin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: m402 - m403
• a: 9.3437 ± 0.0019 Å
• b: 13.274 ± 0.003 Å
• c: 13.88 ± 0.003 Å
• α: 64.61 ± 0.03°
• β: 88.77 ± 0.03°
• γ: 69.83 ± 0.03°
• Cell volume: 1443.6 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0636
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1119
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes