Information card for entry 2201079

Structure parameters

• Formula: C59 H53 Cu O P4 S2
• Calculated formula: C59 H53 Cu O P4 S2
• Title of publication: [Bis(diphenylphosphino)ethane-<i>P,P</i>')][bis(diphenylphosphino)ethane sulfide-<i>P</i>)](thiobenzoato-<i>S</i>)copper(I)
• Authors of publication: Theivanayagam C. Deivaraj; Jagadese J. Vittal
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 5
• Pages of publication: m181 - m182
• a: 36.7805 ± 0.0002 Å
• b: 15.563 ± 0.0002 Å
• c: 18.6053 ± 0.0002 Å
• α: 90°
• β: 96.486 ± 0.001°
• γ: 90°
• Cell volume: 10581.8 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.12
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for significantly intense reflections: 0.155
• Weighted residual factors for all reflections included in the refinement: 0.178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes