Information card for entry 7020406

Structure parameters

• Formula: C37 H40 B8 Cl3 P2 Rh S
• Calculated formula: C37 H40 B8 Cl3 P2 Rh S
• SMILES: [RhH]1234([P](c5ccccc5)(c5ccccc5)c5ccccc5)([P](c5ccccc5)(c5ccccc5)c5ccccc5)[S]56[BH]781[BH]195[BH]526[BH]263[BH]347[BH]481[BH]952[BH]634.C(Cl)(Cl)Cl
• Title of publication: Facile two-electron reduction of a closo-rhodathiadecaborane.
• Authors of publication: Luaces, Susana; Bould, Jonathan; Macías, Ramón; Sancho, Rodrigo; Lahoz, Fernando J.; Oro, Luis A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 38
• Pages of publication: 11627 - 11634
• a: 11.7795 ± 0.0016 Å
• b: 12.8988 ± 0.0017 Å
• c: 14.1309 ± 0.0019 Å
• α: 83.55 ± 0.002°
• β: 80.869 ± 0.002°
• γ: 71.08 ± 0.002°
• Cell volume: 2001.1 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0401
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0796
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No