Information card for entry 4300078

Structure parameters

• Formula: C43 H35 Cu O P2 S
• Calculated formula: C43 H35 Cu O P2 S
• SMILES: [Cu]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)SC(=[O]1)c1ccccc1
• 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: 10.2524 ± 0.0003 Å
• b: 12.9826 ± 0.0004 Å
• c: 14.534 ± 0.0004 Å
• α: 87.723 ± 0.001°
• β: 75.322 ± 0.001°
• γ: 75.978 ± 0.001°
• Cell volume: 1815.14 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0804
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for all reflections: 0.1094
• Weighted residual factors for significantly intense reflections: 0.0958
• Goodness-of-fit parameter for all reflections: 1.02
• Goodness-of-fit parameter for significantly intense reflections: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No