Information card for entry 4069084

Structure parameters

• Formula: C38 H36 Cl3 N2 Rh
• Calculated formula: C38 H36 Cl3 N2 Rh
• SMILES: [Rh]123(Cl)(=C4N(C5=C(N4c4c(cccc4)C)c4c(c6c5cccc6)cccc4)c4c(cccc4)C)[CH]4=[CH]1CC[CH]2=[CH]3CC4.C(Cl)Cl
• Title of publication: Annulated N-Heterocyclic Carbenes: 1,3-Ditolylphenanthreno[9,10-d]imidazol-2-ylidene and Transition Metal Complexes Thereof
• Authors of publication: Ullah, Farman; Kindermann, Markus K.; Jones, Peter G.; Heinicke, Joachim
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 8
• Pages of publication: 2441
• a: 14.0608 ± 0.0011 Å
• b: 14.9417 ± 0.0011 Å
• c: 16.1758 ± 0.0012 Å
• α: 90°
• β: 106.75 ± 0.004°
• γ: 90°
• Cell volume: 3254.2 ± 0.4 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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: 0.0422
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.0774
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No