Information card for entry 4109567

Structure parameters

• Formula: C46 H58 Cl2 N4 Ru2
• Calculated formula: C46 H58 Cl2 N4 Ru2
• SMILES: C12N(CCN1c1c(cc(cc1C[Ru]13=2([CH2]=[CH2]1)[Cl][Ru]12(=C4N(CCN4c4c(cc(cc4C1)C)C)c1c(cc(cc1C)C)C)([CH2]=[CH2]2)[Cl]3)C)C)c1c(C)cc(cc1C)C
• Title of publication: Decomposition of Ruthenium Olefin Metathesis Catalysts
• Authors of publication: Soon Hyeok Hong; Anna G. Wenzel; Tina T. Salguero; Michael W. Day; Robert H. Grubbs
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 7961 - 7968
• a: 9.8735 ± 0.0006 Å
• b: 10.7053 ± 0.0007 Å
• c: 11.8315 ± 0.0007 Å
• α: 100.828 ± 0.002°
• β: 98.018 ± 0.002°
• γ: 116.447 ± 0.001°
• Cell volume: 1063.77 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0724
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.0667
• Weighted residual factors for all reflections included in the refinement: 0.0714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No