Information card for entry 2207433

Structure parameters

• Chemical name: Bis(μ-4-sulfamoylbenzoato)bis[chloro(di-2-pyridylamine)copper(II)] dihydrate
• Formula: C17 H17 Cl Cu N4 O5 S
• Calculated formula: C17 H17 Cl Cu N4 O5 S
• SMILES: [Cu]12([O]=C(O1)c1ccc(S(=O)(=O)N)cc1)([n]1c(Nc3[n]2cccc3)cccc1)Cl.O
• Title of publication: Bis(μ-4-sulfamoylbenzoato)bis[chloro(di-2-pyridylamine)copper(II)] dihydrate
• Authors of publication: Xin-Hua Li
• Journal of publication: Acta Crystallographica, Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: m2623 - m2625
• a: 8.4996 ± 0.0006 Å
• b: 20.1067 ± 0.0014 Å
• c: 11.774 ± 0.0008 Å
• α: 90°
• β: 103.544 ± 0.001°
• γ: 90°
• Cell volume: 1956.2 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0402
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No