Information card for entry 4078252

Structure parameters

• Formula: C52 H62 Cl4 N4 O2 Ru2
• Calculated formula: C52 H62 Cl4 N4 O2 Ru2
• SMILES: C1(N(c2c(cc(C)cc2C)C)CCN1c1c(cc(cc1C)C)C)=[Ru]1(=Cc2cc3[O](C)[Ru](=C4N(CCN4c4c(cc(cc4C)C)C)c4c(cc(cc4C)C)C)(=Cc3cc2[O]1C)(Cl)Cl)(Cl)Cl
• Title of publication: Synthesis and Properties of Bimetallic Hoveyda‒Grubbs Metathesis Catalysts
• Authors of publication: Grudzień, Krzysztof; Malinska, Maura; Barbasiewicz, Michał
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 9
• Pages of publication: 3636
• a: 16.5418 ± 0.0012 Å
• b: 8.6422 ± 0.0006 Å
• c: 18.1648 ± 0.0014 Å
• α: 90°
• β: 91.901 ± 0.004°
• γ: 90°
• Cell volume: 2595.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0377
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No