Information card for entry 4085763

Structure parameters

• Formula: C36 H46 Cl4 N2 O Ru
• Calculated formula: C36 H46 Cl4 N2 O Ru
• SMILES: [Ru]123456(Cl)(Oc7c(N8C=CN(C=18)C(C)c1ccccc1)cc(cc7C(C)(C)C)C(C)(C)C)[c]1([cH]6[cH]5[c]4([cH]3[cH]21)C(C)C)C.ClC(Cl)Cl
• Title of publication: o-Aryloxide-N-heterocyclic Carbenes: Efficient Synthesis of the Proligands and Theirp-Cymene Ruthenium Complexes
• Authors of publication: Yang, Dandan; Tang, Yungang; Song, Haibin; Wang, Baiquan
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 10
• Pages of publication: 2012
• a: 14.373 ± 0.003 Å
• b: 19.967 ± 0.004 Å
• c: 25.014 ± 0.005 Å
• α: 90°
• β: 93.386 ± 0.005°
• γ: 90°
• Cell volume: 7166 ± 3 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: 0.0462
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.0887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No