Information card for entry 7054036

Structure parameters

• Formula: C18 H20 Cl N2 Rh
• Calculated formula: C18 H20 Cl N2 Rh
• SMILES: [Rh]123(Cl)(=C4N(C=CN4C)Cc4ccccc4)[CH]4=[CH]1C1CC4[CH]2=[CH]31
• Title of publication: N-Heterocyclic carbene rhodium(i) complexes containing an axis of chirality: dynamics and catalysis
• Authors of publication: Cassani, Maria Cristina; Brucka, Marta Anna; Femoni, Cristina; Mancinelli, Michele; Mazzanti, Andrea; Mazzoni, Rita; Solinas, Gavino
• Journal of publication: New Journal of Chemistry
• Year of publication: 2014
• Journal volume: 38
• Journal issue: 4
• Pages of publication: 1768
• a: 10.519 ± 0.0006 Å
• b: 10.7555 ± 0.0006 Å
• c: 14.847 ± 0.0009 Å
• α: 90°
• β: 90.532 ± 0.001°
• γ: 90°
• Cell volume: 1679.67 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0445
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.0883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No