Information card for entry 4305478

Structure parameters

• Formula: C46 H41 Br Cl2 N P2 Rh
• Calculated formula: C46 H41 Br Cl2 N P2 Rh
• Title of publication: Influence of Ligand Polarizability on the Reversible Binding of O2 by trans-[Rh(X)(XNC)(PPh3)2] (X = Cl, Br, SC6F5, C2Ph; XNC = Xylyl Isocyanide). Structures and a Kinetic Study
• Authors of publication: Laurence Carlton; Lebohang V. Mokoena; Manuel A. Fernandes
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 8696 - 8703
• a: 12.1403 ± 0.001 Å
• b: 12.918 ± 0.001 Å
• c: 12.3376 ± 0.0009 Å
• α: 90°
• β: 91.262 ± 0.004°
• γ: 90°
• Cell volume: 1934.4 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0785
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1579
• Weighted residual factors for all reflections included in the refinement: 0.1697
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No