Information card for entry 4083114

Structure parameters

• Formula: C52 H64 Cl2 I N2 P Ru
• Calculated formula: C52 H64 Cl2 I N2 P Ru
• SMILES: C1(N(CCN1Cc1c(cccc1)I)c1c(cc(cc1C)C)C)=[Ru](=C1C=C(c2ccccc12)c1ccccc1)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)(Cl)Cl
• Title of publication: Synthesis, Structure, and Catalytic Activity of New Ruthenium(II) Indenylidene Complexes Bearing Unsymmetrical N-Heterocyclic Carbenes
• Authors of publication: Ablialimov, Osman; Kędziorek, Mariusz; Malińska, Maura; Woźniak, Krzysztof; Grela, Karol
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 9
• Pages of publication: 2160
• a: 23.037 ± 0.003 Å
• b: 16.148 ± 0.002 Å
• c: 28.945 ± 0.005 Å
• α: 90°
• β: 103.772 ± 0.005°
• γ: 90°
• Cell volume: 10458 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1755
• Residual factor for significantly intense reflections: 0.0891
• Weighted residual factors for significantly intense reflections: 0.2191
• Weighted residual factors for all reflections included in the refinement: 0.2468
• Goodness-of-fit parameter for all reflections included in the refinement: 0.84
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No