Information card for entry 4516019

Structure parameters

• Formula: C36 H48 Cl2 N4 O Ru
• Calculated formula: C36 H48 Cl2 N4 O Ru
• SMILES: [Ru]123456(Cl)([O]=C(Nc7c(C(C)C)cccc7C(C)C)CN7c8c(N(C=47)C(C)C)cccc8)[cH]4[cH]1[c]6([cH]5[cH]2[c]34C(C)C)C.[Cl-].N#CC
• Title of publication: Cyanosilylation of Aromatic Aldehydes by Cationic Ruthenium(II) Complexes of Benzimidazole-Derived O-Functionalized N-Heterocyclic Carbenes at Ambient Temperature under Solvent-Free Conditions.
• Authors of publication: Kumar, Dharmendra; Prakasham, A. P.; Das, Sharmistha; Datta, Anindya; Ghosh, Prasenjit
• Journal of publication: ACS omega
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 2
• Pages of publication: 1922 - 1938
• a: 11.612 ± 0.0003 Å
• b: 13.3307 ± 0.0004 Å
• c: 13.8927 ± 0.0005 Å
• α: 62.692 ± 0.003°
• β: 85.611 ± 0.002°
• γ: 70.196 ± 0.003°
• Cell volume: 1789.83 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0243
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for significantly intense reflections: 0.0526
• Weighted residual factors for all reflections included in the refinement: 0.0534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No