Information card for entry 7020407

Structure parameters

• Formula: C55 H56 B8 Cl2 P3 Rh S
• Calculated formula: C55 H56 B8 Cl2 P3 Rh S
• SMILES: [Rh]12([S]34[BH]567[BH]813[BH]135[BH]596[BH]63([BH]281[H]6)[BH]5([P](c1ccccc1)(c1ccccc1)c1ccccc1)[BH]479)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(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: 9.983 ± 0.005 Å
• b: 12.408 ± 0.006 Å
• c: 23.205 ± 0.012 Å
• α: 94.444 ± 0.008°
• β: 91.104 ± 0.008°
• γ: 112.025 ± 0.008°
• Cell volume: 2653 ± 2 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: 0.0945
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1851
• Weighted residual factors for all reflections included in the refinement: 0.207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No