Information card for entry 7002206

Structure parameters

• Formula: C12 H22.67 Cl2 Cu N8 O9
• Calculated formula: C12 H12 Cl2 Cu N8 O9
• Title of publication: From 1D zigzag chain to 1D tubular structure, weak field ligand-dependent assembly of cucurbit[6]uril-based tubular coordination polymer
• Authors of publication: Liu, Jing-Xin; Dong, Chun-Hong; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 36
• Pages of publication: 7344 - 7346
• a: 19.5216 ± 0.0017 Å
• b: 19.5216 ± 0.0017 Å
• c: 10.5282 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3474.7 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.0789
• Residual factor for significantly intense reflections: 0.0741
• Weighted residual factors for significantly intense reflections: 0.1951
• Weighted residual factors for all reflections included in the refinement: 0.2015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No