Information card for entry 4084394

Structure parameters

• Formula: C72 H72 B F24 Rh4 S4
• Calculated formula: C72 H72 B F24 Rh4 S4
• SMILES: [c]12([c]3([c]4(C)[Rh]56713([S]1[Rh]389%10%11([S]5[Rh]5%12%13%14%15([S]7[Rh]7%16%17%181([c]1([c]7([c]%16([c]%17([c]%181C)C)C)C)C)[S]%115)[c]1([c]%15([c]%14([c]%13([c]%121C)C)C)C)C)[c]1([c]%10([c]9([c]8([c]31C)C)C)C)C)[c]4([c]26C)C)C)C.FC(F)(F)c1cc([B-](c2cc(cc(c2)C(F)(F)F)C(F)(F)F)(c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc(c1)C(F)(F)F
• 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: 12.743 ± 0.002 Å
• b: 15.166 ± 0.003 Å
• c: 19.65 ± 0.004 Å
• α: 90°
• β: 101.209 ± 0.003°
• γ: 90°
• Cell volume: 3725.1 ± 1.2 ų
• Cell temperature: 123.15 K
• Ambient diffraction temperature: 123.15 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0627
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.13
• Weighted residual factors for all reflections included in the refinement: 0.1372
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No