Information card for entry 7020408

Structure parameters

• Formula: C37.5 H41.5 B8 Cl P2 Rh S
• Calculated formula: C36 H38 B8 Cl P2 Rh S
• SMILES: [RhH]1234(Cl)([S]56[BH]783[BH]392[BH]2%101([P](c1ccccc1)(c1ccccc1)c1ccccc1)[BH]145[BH]468[BH]579[BH]32[BH]%10145)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 10.827 ± 0.004 Å
• b: 11.101 ± 0.004 Å
• c: 18.429 ± 0.007 Å
• α: 74.635 ± 0.005°
• β: 88.279 ± 0.005°
• γ: 66.756 ± 0.005°
• Cell volume: 1955.5 ± 1.3 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: 0.132
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.141
• Weighted residual factors for all reflections included in the refinement: 0.1633
• Goodness-of-fit parameter for all reflections included in the refinement: 0.89
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No