Information card for entry 4107442

Structure parameters

• Formula: C26 H32 B9 Cl3 D N P Rh S
• Calculated formula: C26 H32 B9 Cl3 D N P Rh S
• SMILES: [Rh]123456([P](c7ccccc7)(c7ccccc7)c7ccccc7)([S]78[BH]9%104[BH]4%113[B]32([n]2ccccc2)[BH]2%126[BH]657[BH]589[BH]7%10%11[BH]432[BH]%12657)[CH2]=[CH2]1.C(Cl)(Cl)(Cl)[2H]
• Title of publication: Reversible Ethylene Dihydrogen Mediated 11-Vertex nido\ρightarrowcloso\ρightarrownido Conversion in a Metallathiaborane Cluster
• Authors of publication: Álvaro Álvarez; Ramón Macías; María José Fabra; Fernando J. Lahoz; Luis A. Oro
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 2148 - 2149
• a: 13.0047 ± 0.0008 Å
• b: 19.9544 ± 0.0012 Å
• c: 24.4736 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6350.9 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.065
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.206
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No