Information card for entry 7713546

Structure parameters

• Formula: C32 H37 Cl N P Ru
• Calculated formula: C32 H37 Cl N P Ru
• SMILES: [Ru]12345(Cl)([P](c6c([N]1=CC(C)C)cccc6)(c1ccccc1)c1ccccc1)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C
• Title of publication: Operationally unsaturated ruthenium complex stabilized by a phosphine 1-azaallyl ligand.
• Authors of publication: Kindervater, Meagan B.; Staroverov, Viktor N.; Jackman, Kyle M. K.; Fogh, Amanda A.; Kelley, Leslie S. G.; Lim, Lisabeth; Sirohey, Sofia A.; Boyle, Paul D.; Blacquiere, Johanna M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• a: 16.261 ± 0.003 Å
• b: 11.225 ± 0.003 Å
• c: 16.025 ± 0.003 Å
• α: 90°
• β: 103.873 ± 0.01°
• γ: 90°
• Cell volume: 2839.7 ± 1.1 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 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: 0.0616
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0835
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No