Information card for entry 7131889

Structure parameters

• Common name: (Diso)2Ru(PPh3) . 2 CH2Cl2
• Chemical name: Bis(N-(2,6-diisopropylphenyl)-4,6-di-tert-butyl-1,2- benzoiminoxolene)(triphenylphosphine)ruthenium bis(dichloromethane) solvate
• Formula: C72 H93 Cl4 N2 O2 P Ru
• Calculated formula: C72.0001 H93.0002 Cl4.0002 N2 O2 P Ru
• Title of publication: Slip to π Ru: structural distortions due to metal-iminoxolene π bonding.
• Authors of publication: Ayson, Patricia Rose H.; Brown, Seth N.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 63
• Pages of publication: 9618 - 9621
• a: 11.6411 ± 0.0012 Å
• b: 15.7348 ± 0.0016 Å
• c: 20.953 ± 0.002 Å
• α: 101.789 ± 0.0016°
• β: 101.156 ± 0.0017°
• γ: 107.309 ± 0.0016°
• Cell volume: 3451.5 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0407
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No