Information card for entry 4077877

Structure parameters

• Formula: C22 H37 B9 Cl2 N P2 Rh S
• Calculated formula: C22 H37 B9 Cl2 N P2 Rh S
• Title of publication: Modification of [8,8,8-(H)(PPh3)2-9-(Py)-nido-8,7-RhSB9H9], Py = NC5H5, with Monodentate Phosphines: Reactivity and Mechanistic Insights
• Authors of publication: Calvo, Beatriz; Álvarez, Álvaro; Macías, Ramón; García-Orduña, Pilar; Lahoz, Fernando J.; Oro, Luis A.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 8
• Pages of publication: 2986
• a: 9.1278 ± 0.0013 Å
• b: 24.263 ± 0.004 Å
• c: 14.915 ± 0.002 Å
• α: 90°
• β: 103.397 ± 0.002°
• γ: 90°
• Cell volume: 3213.3 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0637
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1462
• Weighted residual factors for all reflections included in the refinement: 0.1487
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No