Information card for entry 4305103

Structure parameters

• Formula: C64 H71 Br4 Cu6 Mo2 N8 S6
• Calculated formula: C64 H71 Br4 Cu6 Mo2 N8 S6
• Title of publication: Assembly of [(η5-C5Me5)MoS3Cu3]-Supported One-Dimensional Chains with Single, Double, Triple, and Quadruple Strands
• Authors of publication: Wen-Hua Zhang; Ying-Lin Song; Zhen-Hong Wei; Ling-Ling Li; Yu-Jian Huang; Yong Zhang; Jian-Ping Lang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 5332 - 5346
• a: 18.694 ± 0.004 Å
• b: 23.853 ± 0.005 Å
• c: 16.809 ± 0.003 Å
• α: 90°
• β: 90.98 ± 0.03°
• γ: 90°
• Cell volume: 7494 ± 3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• 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: 0.1206
• Residual factor for significantly intense reflections: 0.1091
• Weighted residual factors for significantly intense reflections: 0.2888
• Weighted residual factors for all reflections included in the refinement: 0.3008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No