Information card for entry 4336495

Structure parameters

• Formula: C39 H40 I N2 Rh S2
• Calculated formula: C39 H40 I N2 Rh S2
• SMILES: c1c(cc(n2C(n3c(cc(cc3c12)C(C)(C)C)Sc1ccccc1)=[Rh]123(I)[CH]4=[CH]3C=C[CH]2=[CH]1C=C4)Sc1ccccc1)C(C)(C)C
• 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: 14.123 ± 0.002 Å
• b: 16.273 ± 0.003 Å
• c: 32.044 ± 0.006 Å
• α: 90 ± 0.002°
• β: 90 ± 0.002°
• γ: 96.169 ± 0.002°
• Cell volume: 7322 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1205
• Residual factor for significantly intense reflections: 0.0706
• Weighted residual factors for significantly intense reflections: 0.1632
• Weighted residual factors for all reflections included in the refinement: 0.1934
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No