Information card for entry 4079510

Structure parameters

• Formula: C53 H67 Cl2 N2 O P Ru
• Calculated formula: C53 H67 Cl2 N2 O P Ru
• SMILES: COc1c(CN2C(N(CC2)c2c(cc(cc2C)C)C)=[Ru](=C2C=C(c3ccccc23)c2ccccc2)(Cl)(Cl)[P](C2CCCCC2)(C2CCCCC2)C2CCCCC2)cccc1
• Title of publication: New Ruthenium(II) Indenylidene Complexes Bearing Unsymmetrical N-Heterocyclic Carbenes
• Authors of publication: Ablialimov, Osman; Kędziorek, Mariusz; Torborg, Christian; Malińska, Maura; Woźniak, Krzysztof; Grela, Karol
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 21
• Pages of publication: 7316
• a: 12.7022 ± 0.0003 Å
• b: 15.6607 ± 0.0003 Å
• c: 23.8898 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4752.29 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0625
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.1396
• Goodness-of-fit parameter for all reflections included in the refinement: 1.221
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No