Information card for entry 7107913

Structure parameters

• Formula: C36 H44 B9 P2 Rh
• Calculated formula: C36 H44 B9 P2 Rh
• Title of publication: Zwitterionic half-sandwich Rh and Ir complexes containing a diphosphine nido-carborane ligand: synthesis, structure transformation and application in H2 activation
• Authors of publication: Zi-Jian Yao; Xian-Kuan Huo; Guo-Xin Jin
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 6714
• a: 11.469 ± 0.004 Å
• b: 19.555 ± 0.007 Å
• c: 17.854 ± 0.007 Å
• α: 90°
• β: 104.924 ± 0.005°
• γ: 90°
• Cell volume: 3869 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.088
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.1352
• Goodness-of-fit parameter for all reflections included in the refinement: 0.904
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No