Information card for entry 4305480

Structure parameters

• Formula: C59 H50 N P2 Rh
• Calculated formula: C59 H50 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: 12.481 ± 0.002 Å
• b: 13.973 ± 0.002 Å
• c: 15.361 ± 0.003 Å
• α: 94.931 ± 0.003°
• β: 100.906 ± 0.003°
• γ: 113.722 ± 0.003°
• Cell volume: 2368.8 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0923
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1368
• Weighted residual factors for all reflections included in the refinement: 0.1565
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No