Information card for entry 4333350

Structure parameters

• Formula: C40.5 H38 Cu3 Mo N9.75 O0.5 S5
• Calculated formula: C40.5 H38 Cu3 Mo N9.75 O0.5 S5
• 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: 10.472 ± 0.002 Å
• b: 16.396 ± 0.003 Å
• c: 16.563 ± 0.003 Å
• α: 60.45 ± 0.03°
• β: 89.52 ± 0.03°
• γ: 78.05 ± 0.03°
• Cell volume: 2405.6 ± 1.1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0625
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1562
• Weighted residual factors for all reflections included in the refinement: 0.1597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No