Information card for entry 2206933

Structure parameters

• Chemical name: μ-Adipato-κ^4^O,O':O'',O'''-bis[aqua(2,9-dimethyl-1,10-phenanthroline- κ^2^N,N)nitratocadmium(II)] dihydrate
• Formula: C34 H40 Cd2 N6 O14
• Calculated formula: C34 H40 Cd2 N6 O14
• SMILES: c1([n]2c3c(cc1)ccc1ccc([n](c31)[Cd]132(ON(=O)=[O]1)([O]=C(O3)CCCCC1=[O][Cd]23([n]4c(ccc5ccc6ccc([n]2c6c45)C)C)(ON(=O)=[O]3)(O1)[OH2])[OH2])C)C.O.O
• Title of publication: μ-Adipato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>'''-bis[aqua(2,9-dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>)nitratocadmium(II)] dihydrate
• Authors of publication: Cai-Feng Ding; Mei Zhu; Xue-Mei Li; Ping-Kai Ouyang; Shu-Sheng Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: m2058 - m2059
• a: 24.438 ± 0.002 Å
• b: 11.2315 ± 0.001 Å
• c: 13.8799 ± 0.0012 Å
• α: 90°
• β: 96.969 ± 0.001°
• γ: 90°
• Cell volume: 3781.5 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0301
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.0681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes