Information card for entry 4332197

Structure parameters

• Formula: C41 H40 Cl Cu3 N3 P S3 W
• Calculated formula: C41 H40 Cl Cu3 N3 P S3 W
• Title of publication: Construction of [(η5-C5Me5)WS3Cu3]-Based Supramolecular Compounds from Preformed Incomplete Cubane-Like Clusters [PPh4][(η5-C5Me5)WS3(CuX)3] (X = CN, Br)
• Authors of publication: Xu, Qing-Feng; Chen, Jin-Xiang; Zhang, Wen-Hua; Ren, Zhi-Gang; Li, Hong-Xi; Zhang, Yong; Lang, Jian-Ping
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 10
• Pages of publication: 4055 - 4064
• a: 21.532 ± 0.004 Å
• b: 14.132 ± 0.003 Å
• c: 14.589 ± 0.003 Å
• α: 90°
• β: 104.3 ± 0.03°
• γ: 90°
• Cell volume: 4301.7 ± 1.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.134
• Residual factor for significantly intense reflections: 0.1028
• Weighted residual factors for significantly intense reflections: 0.2141
• Weighted residual factors for all reflections included in the refinement: 0.2296
• Goodness-of-fit parameter for all reflections included in the refinement: 1.224
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No