Information card for entry 7019781

Structure parameters

• Formula: C29 H34 Cl2 N3 P Ru
• Calculated formula: C29 H34 Cl2 N3 P Ru
• SMILES: [Ru]1(Cl)(Cl)([P](c2c(cccc2)C(=[NH]1)c1ccccc1)(C(C)C)C(C)C)([n]1ccccc1)[n]1ccccc1
• Title of publication: Rearrangements of phosphinoimines to phosphine-imines in ruthenium chelate complexes.
• Authors of publication: Brown, Christopher C.; Stephan, Douglas W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 31
• Pages of publication: 9431 - 9438
• a: 9.0765 ± 0.0009 Å
• b: 46.734 ± 0.005 Å
• c: 13.7877 ± 0.0014 Å
• α: 90°
• β: 108.453 ± 0.006°
• γ: 90°
• Cell volume: 5547.8 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1518
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No