Information card for entry 4079715

Structure parameters

• Formula: C58 H56 F5 N2 P2 Rh
• Calculated formula: C58 H56 F5 N2 P2 Rh
• Title of publication: Ring-Expanded N-Heterocyclic Carbene Complexes of Rhodium with Bifluoride, Fluoride, and Fluoroaryl Ligands
• Authors of publication: Segarra, Candela; Mas-Marz Elena; Lowe, John P.; Mahon, Mary F.; Poulten, Rebecca C.; Whittlesey, Michael K.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 24
• Pages of publication: 8584
• a: 10.498 ± 0.0001 Å
• b: 20.74 ± 0.0003 Å
• c: 23.255 ± 0.0004 Å
• α: 90°
• β: 99.073 ± 0.001°
• γ: 90°
• Cell volume: 4999.93 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0655
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No