Information card for entry 4083559

Structure parameters

• Formula: C44 H51 B9 Cl4 N P2 Rh S
• Calculated formula: C44 H51 B9 Cl4 N P2 Rh S
• SMILES: [RhH]123([P](c4ccccc4)(c4ccccc4)c4ccccc4)([P](c4ccccc4)(c4ccccc4)c4ccccc4)[S@@]45[BH]67[BH]89%10[B]%111([n]1ccc(C)cc1)([H]8)[BH]18%10[BH]%1069[BH]647[BH]435[BH]2%111[BH]8%1064.C(Cl)Cl.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: 15.104 ± 0.005 Å
• b: 20.372 ± 0.006 Å
• c: 15.893 ± 0.005 Å
• α: 90°
• β: 96.183 ± 0.006°
• γ: 90°
• Cell volume: 4862 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0997
• Residual factor for significantly intense reflections: 0.0711
• Weighted residual factors for significantly intense reflections: 0.1432
• Weighted residual factors for all reflections included in the refinement: 0.155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No