Information card for entry 4339265

Structure parameters

• Formula: C78 H81 Cu6 Mo2 N13 S10
• Calculated formula: C78 H81 Cu6 Mo2 N13.002 S10.002
• Title of publication: Construction of [(eta5-C5Me5)MoS3Cu3]-based supramolecular assemblies from the [(eta5-C5Me5)MoS3(CuNCS)3]- cluster anion and multitopic ligands with different symmetries.
• Authors of publication: Zhang, Wen-Hua; Song, Ying-Lin; Ren, Zhi-Gang; Li, Hong-Xi; Li, Ling-Ling; Zhang, Yong; Lang, Jian-Ping
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 16
• Pages of publication: 6647 - 6660
• a: 10.6942 ± 0.0011 Å
• b: 11.0809 ± 0.0011 Å
• c: 36.563 ± 0.004 Å
• α: 83.401 ± 0.006°
• β: 88.734 ± 0.007°
• γ: 80.383 ± 0.007°
• Cell volume: 4243.6 ± 0.8 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1272
• Residual factor for significantly intense reflections: 0.0898
• Weighted residual factors for significantly intense reflections: 0.1866
• Weighted residual factors for all reflections included in the refinement: 0.2087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No