Information card for entry 7122915

Structure parameters

• Formula: C40 H31 F4 I N O2 P2 Rh
• Calculated formula: C40 H31 F4 I N O2 P2 Rh
• Title of publication: Halogen Bonding Effects on the Outcome of Reactions at Metal Centres
• Authors of publication: Carreras, Lucas; Benet-Buchholz, Jordi; Franconetti, Antonio; Frontera, Antonio; van Leeuwen, Piet W.N.M.; Vidal-Ferran, Anton
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 10.9475 ± 0.0006 Å
• b: 20.2025 ± 0.0011 Å
• c: 16.518 ± 0.0008 Å
• α: 90°
• β: 90.8406 ± 0.0013°
• γ: 90°
• Cell volume: 3652.8 ± 0.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0623
• Weighted residual factors for all reflections included in the refinement: 0.0676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No