Information card for entry 4080007

Structure parameters

• Formula: C18 H22 Cl N2 O Rh
• Calculated formula: C18 H22 Cl N2 O Rh
• SMILES: [Rh]123(Cl)(=C4N(C(=O)c5c(N4C)cccc5)C)[CH]4=[CH]1CC[CH]2=[CH]3CC4
• Title of publication: A New Mixed Amino‒Amido N-Heterocyclic Carbene Based on Anthranilic Acid
• Authors of publication: Makhloufi, Abdelaziz; Wahl, Michaela; Frank, Walter; Ganter, Christian
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 3
• Pages of publication: 854
• a: 20.1622 ± 0.0007 Å
• b: 12.1379 ± 0.0005 Å
• c: 14.1601 ± 0.0004 Å
• α: 90°
• β: 101.067 ± 0.003°
• γ: 90°
• Cell volume: 3400.9 ± 0.2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0452
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.327
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No