Information card for entry 7713547

Structure parameters

• Formula: C37 H41 N2 P Ru
• Calculated formula: C37 H41 N2 P Ru
• SMILES: [Ru]12345([P](c6c(N1C=C(C)C)cccc6)(c1ccccc1)c1ccccc1)([n]1ccccc1)[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: 10.509 ± 0.004 Å
• b: 14.918 ± 0.006 Å
• c: 19.744 ± 0.007 Å
• α: 90°
• β: 98.065 ± 0.011°
• γ: 90°
• Cell volume: 3065 ± 2 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 5
• 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: 0.0525
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections included in the refinement: 0.0777
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No