Information card for entry 4083558

Structure parameters

• Formula: C43 H49 B9 Cl2 N P2 Rh S
• Calculated formula: C43 H47 B9 Cl2 N P2 Rh S
• SMILES: [RhH]123([P](c4ccccc4)(c4ccccc4)c4ccccc4)([P](c4ccccc4)(c4ccccc4)c4ccccc4)[S]45[BH]67[BH]89%10[B]%111([BH]1%122[BH]28%11[BH]869[BH]647[BH]351[BH]%12286)([n]1cc(C)ccc1)[H]%10.C(Cl)Cl
• Title of publication: Hydridorhodathiaboranes: Synthesis, Characterization, and Reactivity
• Authors of publication: Álvarez, Álvaro; Calvo, Beatriz; Mac\?ías, Ramón; Lahoz, Fernando J.; Oro, Luis A.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 12
• Pages of publication: 3137
• a: 11.17 ± 0.003 Å
• b: 13.15 ± 0.003 Å
• c: 15.738 ± 0.004 Å
• α: 88.22 ± 0.004°
• β: 88.451 ± 0.004°
• γ: 74.635 ± 0.004°
• Cell volume: 2227.6 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.0885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No