Information card for entry 1566026

Structure parameters

• Formula: C45 H58 Cl8 Co3 N20 O14
• Calculated formula: C45 H58 Cl8 Co3 N20 O14
• Title of publication: Metal-induced different structures of four cyclopentanocucurbit[5]uril-based complexes
• Authors of publication: Zheng, Jun; Meng, Ye; Zhang, Lin; Yang, Xinan; Ma, Peihua
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2022
• Journal volume: 529
• Pages of publication: 120669
• a: 27.808 ± 0.002 Å
• b: 19.906 ± 0.0017 Å
• c: 13.3851 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7409.3 ± 1 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0536
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1401
• Weighted residual factors for all reflections included in the refinement: 0.1428
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No