Information card for entry 4079512

Structure parameters

• Formula: C32.5 H39 Cl1.89 I1.11 N2 O3 Ru
• Calculated formula: C32.5 H39 Cl1.8881 I1.1119 N2 O3 Ru
• 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: 8.0758 ± 0.0009 Å
• b: 20.488 ± 0.0019 Å
• c: 21.52 ± 0.002 Å
• α: 108.225 ± 0.003°
• β: 97.87 ± 0.004°
• γ: 96.013 ± 0.004°
• Cell volume: 3308.7 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.072
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No