Information card for entry 7057817

Structure parameters

• Formula: C44 H38 Cl2 Cu N O P2 S2
• Calculated formula: C44 H38 Cl2 Cu N O P2 S2
• Title of publication: Copper(i) tertiary phosphine xanthate complexes as single source precursors for copper sulfide and their application in the OER
• Authors of publication: Singh, Amita; Trivedi, Manoj; Singh, Pooja; Kociok-Köhn, Gabriele; Azad, Uday Pratap; Singh, Ashish Kumar; Kumar, Abhinav
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 23
• Pages of publication: 18759
• a: 16.5154 ± 0.0005 Å
• b: 9.4839 ± 0.0003 Å
• c: 26.1328 ± 0.0008 Å
• α: 90°
• β: 98.463 ± 0.003°
• γ: 90°
• Cell volume: 4048.6 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0535
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0767
• Weighted residual factors for all reflections included in the refinement: 0.0823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No