Information card for entry 4087073

Structure parameters

• Formula: C33 H44 Cl F3 N3 O3 Rh S
• Calculated formula: C33 H44 Cl F3 N3 O3 Rh S
• Title of publication: A Cationic N-Heterocyclic Carbene Containing an Ammonium Moiety
• Authors of publication: Ruamps, Mirko; Lugan, Noël; César, Vincent
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 5
• Pages of publication: 1049
• a: 14.0247 ± 0.0005 Å
• b: 16.3921 ± 0.0008 Å
• c: 18.344 ± 0.0009 Å
• α: 93.329 ± 0.002°
• β: 97.609 ± 0.001°
• γ: 113.877 ± 0.001°
• Cell volume: 3793.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0508
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No