Information card for entry 7054037

Structure parameters

• Formula: C24 H24 Cl N2 Rh
• Calculated formula: C24 H24 Cl N2 Rh
• SMILES: [Rh]123(Cl)(=C4N(C=CN4Cc4ccccc4)Cc4ccccc4)[CH]4=[CH]1C1[CH]3=[CH]2C4C1
• 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: 11.3295 ± 0.0006 Å
• b: 10.5864 ± 0.0006 Å
• c: 18.0379 ± 0.0009 Å
• α: 90°
• β: 106.826 ± 0.001°
• γ: 90°
• Cell volume: 2070.82 ± 0.19 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0261
• Residual factor for significantly intense reflections: 0.0218
• Weighted residual factors for significantly intense reflections: 0.0536
• Weighted residual factors for all reflections included in the refinement: 0.0561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No