Information card for entry 7000514

Structure parameters

• Formula: C62 H144 Cu10 I12 N10 S8 W2
• Calculated formula: C62 H40 Cu10 I12 N10 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: 36.551 ± 0.015 Å
• b: 13.029 ± 0.004 Å
• c: 26.208 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12481 ± 7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 72
• Hermann-Mauguin space group symbol: I b a m
• Hall space group symbol: -I 2 2c
• Residual factor for all reflections: 0.1217
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1321
• Weighted residual factors for all reflections included in the refinement: 0.1424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No