Information card for entry 4311547

Structure parameters

• Formula: C49 H59 B Rh2 S
• Calculated formula: C49 H59 B Rh2 S
• SMILES: [Rh]1234567([Rh]89%10%11([S]1CC=C)([c]1([c]8([c]9([c]%10([c]%111C)C)C)C)C)(C6)C7)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Novel Nucleophilic Reactivity of Disulfido Ligands Coordinated Parallel to M-M (M = Rh, Ir) Bonds
• Authors of publication: Takanori Nishioka; Hiroaki Kitayama; Brian K. Breedlove; Kimie Shiomi; Isamu Kinoshita; Kiyoshi Isobe
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 5688 - 5697
• a: 29.931 ± 0.002 Å
• b: 8.7984 ± 0.0007 Å
• c: 16.809 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4426.6 ± 0.5 ų
• Cell temperature: 293.2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for all reflections included in the refinement: 0.0566
• Goodness-of-fit parameter for all reflections included in the refinement: 0.929
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No