Information card for entry 7122914

Structure parameters

• Formula: C23 H21 N O3 P Rh
• Calculated formula: C23 H21 N O3 P 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: 8.8141 ± 0.0004 Å
• b: 17.77 ± 0.0009 Å
• c: 13.759 ± 0.0007 Å
• α: 90°
• β: 103.041 ± 0.0018°
• γ: 90°
• Cell volume: 2099.45 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0553
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.0788
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No