Information card for entry 4336494

Structure parameters

• Formula: C27 H34 Cl2 I N2 Rh
• Calculated formula: C27 H34 Cl2 I N2 Rh
• SMILES: C1(=CC(=CC2=C3C=C(C=C(N3C(N12)=[Rh]123(I)[CH]4=[CH]3CC[CH]2=[CH]1CC4)Cl)C(C)(C)C)C(C)(C)C)Cl
• Title of publication: Synthesis of New Dipyrido-Annulated N-Heterocyclic Carbenes with Ortho Substituents
• Authors of publication: Shin-ichi Fuku-en; Junki Yamamoto; Mao Minoura; Satoshi Kojima; Yohsuke Yamamoto
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 11700 - 11702
• a: 29.01 ± 0.003 Å
• b: 17.434 ± 0.0016 Å
• c: 12.2237 ± 0.0011 Å
• α: 90°
• β: 108.677 ± 0.001°
• γ: 90°
• Cell volume: 5856.7 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0398
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.1301
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No