Information card for entry 7709825

Structure parameters

• Formula: C45.6 H53.6 B2 Cl6.8 Cu4 N16 S8 W2
• Calculated formula: C45.6 H53.6 B2 Cl6.8 Cu4 N16 S8 W2
• Title of publication: Construction of cluster-based supramolecular wire and rectangle
• Authors of publication: Tan, Yi; Wang, Zhi-Kang; Lang, Fei-Fan; Yu, Hui-Min; Chen, Cao; Ni, Chun-Yan; Wang, Meng-Yi; Song, Ying-Lin; Lang, Jian-Ping
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 16.8463 ± 0.0009 Å
• b: 17.3053 ± 0.001 Å
• c: 12.4887 ± 0.0008 Å
• α: 90°
• β: 113.894 ± 0.001°
• γ: 90°
• Cell volume: 3328.8 ± 0.3 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 8
• 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: 0.0567
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0692
• Weighted residual factors for all reflections included in the refinement: 0.0766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No