Information card for entry 4077849

Structure parameters

• Formula: C23 H29 B9 Cl N P Rh S
• Calculated formula: C23 H29 B9 Cl N P Rh S
• SMILES: [Rh]123(Cl)([P](c4ccccc4)(c4ccccc4)c4ccccc4)[S]45[BH]678[BH]9%10%11[BH]146[BH]129[BH]24%10[BH]67%11[BH]74([B]312([n]1ccccc1)[H]7)[BH]586
• 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: 9.012 ± 0.002 Å
• b: 10.253 ± 0.003 Å
• c: 15.554 ± 0.003 Å
• α: 74.286 ± 0.01°
• β: 87.956 ± 0.006°
• γ: 81.373 ± 0.009°
• Cell volume: 1367.8 ± 0.6 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: 0.1263
• Residual factor for significantly intense reflections: 0.0961
• Weighted residual factors for significantly intense reflections: 0.2343
• Weighted residual factors for all reflections included in the refinement: 0.2696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.7378 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No