Information card for entry 7012419

Structure parameters

• Formula: C49 H42 Cl2 Cu N16 O16
• Calculated formula: C49 H42 Cl2 Cu N16 O16
• Title of publication: Synthesis and characterization of new coordination polymers generated from oxadiazole-containing ligand and inorganic M(ii) [M = Cu(ii), Co(ii)] salts
• Authors of publication: Dong, Yu-Bin; Ma, Jian-Ping; Huang, Ru-Qi; Liang, Fang-Zhen; Smith, Mark D.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 8
• Pages of publication: 1472
• a: 12.4658 ± 0.0007 Å
• b: 12.1314 ± 0.0007 Å
• c: 17.8301 ± 0.001 Å
• α: 90°
• β: 100.182 ± 0.001°
• γ: 90°
• Cell volume: 2653.9 ± 0.3 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 K
• Number of distinct elements: 6
• 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: 0.0534
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No