Information card for entry 7122917

Structure parameters

• Formula: C37 H28 Cl4.83 F4 I1.17 N O0 P2 Rh
• Calculated formula: C37 H28 Cl4.834 F4 I1.166 N 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: 14.169 ± 0.003 Å
• b: 17.588 ± 0.002 Å
• c: 15.87 ± 0.002 Å
• α: 90°
• β: 105.695 ± 0.005°
• γ: 90°
• Cell volume: 3807.4 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0781
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No