Information card for entry 4084395

Structure parameters

• Formula: C46 H72 F12 O2 P2 Rh4 S4
• Calculated formula: C46 H72 F12 O2 P2 Rh4 S4
• SMILES: [Rh]1234567([Rh]89%10%11%12%13([S]1[Rh]1%14%15%16%17([S]2[Rh]2%18%19%20([S]38)([S]91)[c]1([c]2([c]%18([c]%19([c]%201C)C)C)C)C)[c]1([c]%14([c]%15([c]%16([c]%171C)C)C)C)C)[c]1([c]%10([c]%11([c]%12([c]%131C)C)C)C)C)[c]1([c]4([c]5([c]6([c]71C)C)C)C)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O=C(C)C.O=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: 11.385 ± 0.003 Å
• b: 12.25 ± 0.003 Å
• c: 20.256 ± 0.004 Å
• α: 92.265 ± 0.004°
• β: 95.877 ± 0.004°
• γ: 91.883 ± 0.003°
• Cell volume: 2806 ± 1.2 ų
• Cell temperature: 123.15 K
• Ambient diffraction temperature: 123.15 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0653
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1269
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No