Information card for entry 4320944

Structure parameters

• Formula: C22 H32 Cr Cu K N4 O12
• Calculated formula: C22 H32 Cr Cu K N4 O12
• SMILES: [Cu]123[N]4CC[NH]3C(CC(=[N]2CC[NH]1C(CC=4C)(C)C)C)(C)C.[Cr]123(OC(=O)C(=O)O1)(OC(=O)C(=O)O2)OC(=O)C(=O)O3.[K+]
• Title of publication: Three-Dimensional Oxalate-Bridged Heterometal Supramolecular Complex with a Large Helical Tunnel of 21.191 x 9.294 Å2
• Authors of publication: Hao-Yu Shen; Wei-Ming Bu; Dai-Zheng Liao; Zong-Hui Jiang; Shi-Ping Yan; Geng-Lin Wang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 2239 - 2242
• a: 10.3943 ± 0.0009 Å
• b: 15.4092 ± 0.0014 Å
• c: 18.205 ± 0.003 Å
• α: 90°
• β: 104.754 ± 0.01°
• γ: 90°
• Cell volume: 2819.7 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0644
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for all reflections: 0.0756
• Weighted residual factors for significantly intense reflections: 0.0616
• Goodness-of-fit parameter for all reflections: 1.151
• Goodness-of-fit parameter for significantly intense reflections: 1.177
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No