Information card for entry 4080008

Structure parameters

• Formula: C24 H26 Cl N2 O Rh
• Calculated formula: C24 H26 Cl N2 O Rh
• SMILES: [Rh]123(Cl)(=C4N(C(=O)c5c(N4C)cccc5)Cc4ccccc4)[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: 17.1083 ± 0.0016 Å
• b: 12.8138 ± 0.0012 Å
• c: 19.7853 ± 0.0019 Å
• α: 90°
• β: 92.926 ± 0.005°
• γ: 90°
• Cell volume: 4331.7 ± 0.7 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 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: 0.0264
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.0591
• Weighted residual factors for all reflections included in the refinement: 0.0617
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No