Information card for entry 4071972

Structure parameters

• Formula: C77 H78 B Cl3 N6 P2 Ru
• Calculated formula: C77 H78 B Cl3 N6 P2 Ru
• SMILES: [Ru]12(Cl)([P](CCn3nc(cc3C)C)(c3ccccc3)c3ccccc3)([P](CCn3[n]1c(cc3C)C)(c1ccccc1)c1ccccc1)[NH2]N(C=2Cc1ccccc1)c1ccccc1.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.ClCCl
• Title of publication: Formation of Metallacyclobutene Complexes via the Addition of Hydrazines to Ruthenium Vinylidene Complexes
• Authors of publication: Dabb, Serin L.; Messerle, Barbara A.; Wagler, Jörg
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 18
• Pages of publication: 4657
• a: 12.4426 ± 0.0002 Å
• b: 13.8014 ± 0.0002 Å
• c: 20.2734 ± 0.0003 Å
• α: 97.111 ± 0.001°
• β: 100.399 ± 0.001°
• γ: 91.925 ± 0.001°
• Cell volume: 3392.35 ± 0.09 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: 0.0444
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.0805
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No