Information card for entry 4300077

Structure parameters

• Formula: C76 H66 Cu2 O2 P4 S2
• Calculated formula: C76 H66 Cu2 O2 P4 S2
• Title of publication: Chemistry of Thiocarboxylates: Synthesis and Structures of Neutral Copper(I) Thiocarboxylates with Triphenylphosphine
• Authors of publication: Theivanayagam C. Deivaraj; Ghee Xiong Lai; Jagadese J. Vittal
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 1028 - 1034
• a: 15.2746 ± 0.0002 Å
• b: 23.2947 ± 0.0002 Å
• c: 19.0518 ± 0.0003 Å
• α: 90°
• β: 96.713 ± 0.001°
• γ: 90°
• Cell volume: 6732.48 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1144
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for all reflections: 0.116
• Weighted residual factors for significantly intense reflections: 0.0996
• Goodness-of-fit parameter for all reflections: 1.024
• Goodness-of-fit parameter for significantly intense reflections: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No