Information card for entry 4341666

Structure parameters

• Formula: C36 H43 B9 N P2 Rh S
• Calculated formula: C36 H43 B9 N P2 Rh S
• SMILES: [RhH]123([S]45[BH]678[BH]9%10%11[BH]146[BH]129[BH]24%10[BH]67%11[BH]74([H][BH]3127[NH3+])[BH]586)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: NH3-Promoted Ligand Lability in Eleven-Vertex Rhodathiaboranes.
• Authors of publication: Calvo, Beatriz; Roy, Beatriz; Macías, Ramón; Artigas, Maria Jose; Lahoz, Fernando J.; Oro, Luis A.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Pages of publication: 141110082111008
• a: 12.4394 ± 0.0009 Å
• b: 21.874 ± 0.0016 Å
• c: 14.4668 ± 0.001 Å
• α: 90°
• β: 110.568 ± 0.001°
• γ: 90°
• Cell volume: 3685.5 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0464
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.1014
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No