Information card for entry 7001594

Structure parameters

• Formula: C19 H30 I2 N2 Ru
• Calculated formula: C19 H30 I2 N2 Ru
• SMILES: [Ru]12345(I)(I)([c]6(C)[cH]1[cH]2[c]3([cH]4[cH]56)C(C)C)=C1N(C=CN1C(C)C)C(C)C
• Title of publication: The intramolecular sp2 and sp3 C‒H bond activation of (p-cymene)ruthenium(ii) N-heterocyclic carbene complexes
• Authors of publication: Zhang, Congying; Zhao, Yang; Li, Bin; Song, Haibin; Xu, Shansheng; Wang, Baiquan
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 26
• Pages of publication: 5182 - 5189
• a: 8.7376 ± 0.0017 Å
• b: 14.07 ± 0.003 Å
• c: 17.591 ± 0.004 Å
• α: 90°
• β: 99.91 ± 0.03°
• γ: 90°
• Cell volume: 2130.3 ± 0.8 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0236
• Residual factor for significantly intense reflections: 0.0192
• Weighted residual factors for significantly intense reflections: 0.0445
• Weighted residual factors for all reflections included in the refinement: 0.0455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No