Information card for entry 4077850

Structure parameters

• Formula: C24 H29 B9 Cl N O P Rh S
• Calculated formula: C24 H28.49 B9 Cl N O P Rh S
• Title of publication: Brønsted Acid/Base Driven Chemistry with Rhodathiaboranes: A Labile {SB9H9}‒Thiadecaborane Fragment System
• Authors of publication: Calvo, Beatriz; Macías, Ramón; Cunchillos, Carmen; Lahoz, Fernando J.; Oro, Luis A.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 7
• Pages of publication: 2526
• a: 10.5846 ± 0.0007 Å
• b: 10.7947 ± 0.0007 Å
• c: 13.1623 ± 0.0008 Å
• α: 107.961 ± 0.001°
• β: 91.751 ± 0.001°
• γ: 92.185 ± 0.001°
• Cell volume: 1428.15 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0419
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0733
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No