Information card for entry 4074108

Structure parameters

• Formula: C13 H18 Cl3 N2 Rh
• Calculated formula: C13 H18 Cl3 N2 Rh
• SMILES: [Rh]123(Cl)(=C4N(C(Cl)=C(Cl)N4C)C)[CH]4=[CH]1CC[CH]2=[CH]3CC4
• Title of publication: N-Heterocyclic Carbene−Transition Metal Complexes: Spectroscopic and Crystallographic Analyses of π-Back-bonding Interactions
• Authors of publication: Khramov, Dimitri M.; Lynch, Vincent M.; Bielawski, Christopher W.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 24
• Pages of publication: 6042
• a: 18.643 ± 0.0003 Å
• b: 12.005 ± 0.0002 Å
• c: 14.91 ± 0.0002 Å
• α: 90°
• β: 113.841 ± 0.0009°
• γ: 90°
• Cell volume: 3052.25 ± 0.08 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• 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: 0.0327
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0552
• Weighted residual factors for all reflections included in the refinement: 0.0582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No