Information card for entry 4078862

Structure parameters

• Formula: C30 H43 Cl N2 O Ru
• Calculated formula: C30 H43 Cl N2 O Ru
• SMILES: [Ru]123456(Cl)(Oc7c(cc(cc7N7C=1N(C=C7)C(C)C)C(C)(C)C)C(C)(C)C)[c]1([cH]2[cH]3[c]4([cH]5[cH]61)C(C)C)C
• Title of publication: Synthesis, Structures, and Norbornene ROMP Behavior ofo-Aryloxide-N-Heterocyclic Carbenep-Cymene Ruthenium Complexes
• Authors of publication: Kong, Yong; Xu, Shansheng; Song, Haibin; Wang, Baiquan
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 15
• Pages of publication: 5527
• a: 15.113 ± 0.003 Å
• b: 12.812 ± 0.003 Å
• c: 16.386 ± 0.003 Å
• α: 90°
• β: 113.31 ± 0.03°
• γ: 90°
• Cell volume: 2913.8 ± 1.2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0285
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0641
• Weighted residual factors for all reflections included in the refinement: 0.066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No