Information card for entry 7010299

Structure parameters

• Formula: C91 H78 Cl7 Cu3 O6 P6 S2
• Calculated formula: C91 H78 Cl7 Cu3 O6 P6 S2
• Title of publication: Synthesis, structures and 31P NMR studies of bis(diphenylphosphino)methane adducts of copper and silver thiocarboxylates †
• Authors of publication: Deivaraj, Theivanayagam C.; Vittal, Jagadese J.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 3
• Pages of publication: 322
• a: 13.9558 ± 0.0001 Å
• b: 15.9713 ± 0.0002 Å
• c: 20.6451 ± 0.0003 Å
• α: 82.647 ± 0.001°
• β: 85.295 ± 0.001°
• γ: 83.44 ± 0.001°
• Cell volume: 4523.29 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1179
• Residual factor for significantly intense reflections: 0.0784
• Weighted residual factors for significantly intense reflections: 0.1771
• Weighted residual factors for all reflections included in the refinement: 0.2023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No