Information card for entry 4079511

Structure parameters

• Formula: C32 H38 Cl2 N2 O3 Ru
• Calculated formula: C32 H38 Cl2 N2 O3 Ru
• SMILES: [Ru]1(Cl)(Cl)(=C2N(CCN2c2c(C)cc(C)cc2C)c2c(C)cc(cc2C)C)[O]=C(OCC)c2c(cc(OC)cc2)C=1
• Title of publication: Halide Exchange in Second-Generationcis-Dihalo Ruthenium Benzylidene Complexes
• Authors of publication: Pump, Eva; Fischer, Roland C.; Slugovc, Christian
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 19
• Pages of publication: 6972
• a: 7.9196 ± 0.0003 Å
• b: 14.5983 ± 0.0005 Å
• c: 25.844 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2987.89 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.039
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections included in the refinement: 0.0742
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No