Information card for entry 2207764

Structure parameters

• Chemical name: μ-Adipato-κ^4^O,O';O'',O'''-bis[chloro(2,9-dimethyl-1,10-phenanthroline- κ^2^N,N)copper(II)] dihydrate
• Formula: C34 H36 Cl2 Cu2 N4 O6
• Calculated formula: C34 H36 Cl2 Cu2 N4 O6
• SMILES: c1c2ccc([n]3c2c2c(ccc(C)[n]2[Cu]23([O]=C(CCCCC3=[O][Cu]4([n]5c(C)ccc6ccc7ccc([n]4c7c56)C)(O3)Cl)O2)Cl)c1)C.O.O
• Title of publication: μ-Adipato-κ^4^<i>O</i>,<i>O</i>';<i>O</i>'',<i>O</i>'''-bis[chloro(2,9-dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>)copper(II)] dihydrate
• Authors of publication: Fang-Lin Du; Cai-Feng Ding; Mei Zhu; Xue-Mei Li; Shu-Sheng Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: m149 - m150
• a: 8.2277 ± 0.0005 Å
• b: 14.9414 ± 0.0009 Å
• c: 14.3046 ± 0.0007 Å
• α: 90°
• β: 110.639 ± 0.003°
• γ: 90°
• Cell volume: 1645.65 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0342
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes