Information card for entry 4083039

Structure parameters

• Formula: C41 H62 Cl2 N2 O P2 Ru
• Calculated formula: C41 H62 Cl2 N2 O P2 Ru
• Title of publication: Dihydroperimidine-Derived PNP Pincer Complexes as Intermediates en Route to N-Heterocyclic Carbene Pincer Complexes
• Authors of publication: Hill, Anthony F.; McQueen, Caitlin M. A.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 8
• Pages of publication: 1909
• a: 24.8338 ± 0.0002 Å
• b: 15.2417 ± 0.0001 Å
• c: 23.7802 ± 0.0002 Å
• α: 90°
• β: 90.5012 ± 0.0005°
• γ: 90°
• Cell volume: 9000.68 ± 0.12 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for all reflections: 0.091
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No