Information card for entry 4305479

Structure parameters

• Formula: C53 H44 F5 N O0.5 P2 Rh S
• Calculated formula: C53 H44 F5 N O0.5 P2 Rh S
• 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: 13.3062 ± 0.0016 Å
• b: 13.5965 ± 0.0016 Å
• c: 15.054 ± 0.0018 Å
• α: 69.599 ± 0.002°
• β: 77.881 ± 0.002°
• γ: 64.3 ± 0.002°
• Cell volume: 2294.6 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0496
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No