Information card for entry 4079551

Structure parameters

• Formula: C18 H20 Cl N4 O4 Rh
• Calculated formula: C18 H20 Cl N4 O4 Rh
• SMILES: [Rh]123(Cl)(=C4N(C=CN4C)c4c(N(=O)=O)cc(N(=O)=O)cc4)[CH]4=[CH]1CC[CH]2=[CH]3CC4
• Title of publication: N-Heterocyclic Carbenes with aN-2,4-Dinitrophenyl Substituent: Comparison with PPh3and IPr
• Authors of publication: Sato, Tetsuo; Hirose, Yoichi; Yoshioka, Daisuke; Oi, Shuichi
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 19
• Pages of publication: 6995
• a: 11.1268 ± 0.0016 Å
• b: 12.8969 ± 0.0018 Å
• c: 13.3256 ± 0.0019 Å
• α: 90°
• β: 93.124 ± 0.002°
• γ: 90°
• Cell volume: 1909.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0261
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0633
• Weighted residual factors for all reflections included in the refinement: 0.0658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No