Information card for entry 7000513

Structure parameters

• Formula: C60 H72 Cu6 I2 N14 O2 S8 W2
• Calculated formula: C60 H72 Cu6 I2 N14 O2 S8 W2
• Title of publication: Formation of dimeric and polymeric W/Cu/S clusters via degradation or expansion of the cluster core in [Et4N]4[WS4Cu4I6]
• Authors of publication: Huang, Yu-Jian; Song, Ying-Lin; Chen, Yang; Li, Hong-Xi; Zhang, Yong; Lang, Jian-Ping
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 8
• Pages of publication: 1411
• a: 12.6498 ± 0.0015 Å
• b: 12.943 ± 0.003 Å
• c: 15.041 ± 0.003 Å
• α: 111.395 ± 0.01°
• β: 95.08 ± 0.02°
• γ: 105.55 ± 0.03°
• Cell volume: 2160.8 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0942
• Residual factor for significantly intense reflections: 0.0701
• Weighted residual factors for significantly intense reflections: 0.1815
• Weighted residual factors for all reflections included in the refinement: 0.1973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No