Information card for entry 4315469

Structure parameters

• Formula: C42 H45 Cl Cu In P2 S3
• Calculated formula: C42 H45 Cl Cu In P2 S3
• SMILES: [Cu]12([In](Cl)(SCC)([S]1CC)[S]2CC)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Stepwise Introduction of Thiolates in Copper-Indium Binuclear Complexes
• Authors of publication: Kelsey R. Margulieux; Chivin Sun; Lev N. Zakharov; Andrew W. Holland; Joshua J. Pak
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 3959 - 3961
• a: 12.5711 ± 0.0002 Å
• b: 15.2571 ± 0.0002 Å
• c: 22.1386 ± 0.0003 Å
• α: 90°
• β: 91.737 ± 0.0008°
• γ: 90°
• Cell volume: 4244.2 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0626
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1242
• Weighted residual factors for all reflections included in the refinement: 0.1301
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No