Information card for entry 4084393

Structure parameters

• Formula: C40 H60 Rh4 S4
• Calculated formula: C40 H60 Rh4 S4
• SMILES: [Rh]123456([S]7[Rh]89%10%11%12([S]1[Rh]1%13%14%15%16([S]2[Rh]2%17%18%197([S]81)[c]1([c]%19([c]%18([c]%17([c]21C)C)C)C)C)[c]1([c]%16([c]%15([c]%14([c]%131C)C)C)C)C)[c]1([c]9([c]%10([c]%11([c]%121C)C)C)C)C)[c]1([c]3([c]4([c]5([c]61C)C)C)C)C
• Title of publication: Synthesis of Rhodium–Primary Thioamide Complexes and Their Desulfurization Leading to Rhodium Sulfido Cubane-Type Clusters and Nitriles
• Authors of publication: Mutoh, Yuichiro; Sakigawara, Masahiro; Niiyama, Ippei; Saito, Shinichi; Ishii, Youichi
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 19
• Pages of publication: 5414
• a: 11.137 ± 0.0011 Å
• b: 11.2539 ± 0.0012 Å
• c: 18.697 ± 0.002 Å
• α: 81.498 ± 0.005°
• β: 80.834 ± 0.004°
• γ: 65.709 ± 0.004°
• Cell volume: 2099.8 ± 0.4 ų
• Cell temperature: 123.15 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0454
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No