Information card for entry 4336496

Structure parameters

• Formula: C35 H40 I3 N2 O Rh S2
• Calculated formula: C37 H32 I3 N2 O Rh S2
• SMILES: C1=C(C=C2N3C4=[Rh](I)(I)([S]2c2ccccc2)(I)[S](C2=CC(=CC(=C13)N42)C(C)(C)C)c1ccccc1)C(C)(C)C.O1CCCC1
• 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: 17.665 ± 0.011 Å
• b: 14.579 ± 0.009 Å
• c: 15.112 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3892 ± 4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0821
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1301
• Weighted residual factors for all reflections included in the refinement: 0.1524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No