Information card for entry 4084397

Structure parameters

• Formula: C44 H60 F6 O4 Rh4 S4
• Calculated formula: C44 H60 F6 O4 Rh4 S4
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Rh]162345[S]2[Rh]34578([S]1[Rh]19%10%11%12([c]%13([c]%11([c]%10([c]9([c]1%13C)C)C)C)C)[S]8[Rh]189%102([S]6%12)[c]2([c]1([c]8([c]9([c]%102C)C)C)C)C)[c]1([c]3([c]4([c]5([c]71C)C)C)C)C)C)C)C)C.FC(F)(F)C(=O)[O-].FC(F)(F)C(=O)[O-]
• 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: 16.619 ± 0.009 Å
• b: 15.883 ± 0.009 Å
• c: 19.244 ± 0.011 Å
• α: 90°
• β: 104.316 ± 0.007°
• γ: 90°
• Cell volume: 4922 ± 5 ų
• Cell temperature: 123.15 K
• Ambient diffraction temperature: 123.15 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1245
• Weighted residual factors for all reflections included in the refinement: 0.1371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No