Information card for entry 7124565

Structure parameters

• Common name: Ru(ONO)2 . CHCl3 . 1.31 CH3CN
• Chemical name: Bis[bis(3,5-di-tert-butyl-2-oxyphenyl)amido]ruthenium mixed chloroform/acetonitrile solvate
• Formula: C59.62 H84.93 Cl3 N3.31 O4 Ru
• Calculated formula: C59.62 H84.93 Cl3 N3.31 O4 Ru
• Title of publication: Octahedral to trigonal prismatic distortion driven by subjacent orbital π antibonding interactions and modulated by ligand redox noninnocence.
• Authors of publication: Cipressi, Jacqueline; Brown, Seth N.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2014
• Journal volume: 50
• Journal issue: 59
• Pages of publication: 7956 - 7959
• a: 14.2714 ± 0.0016 Å
• b: 20.573 ± 0.002 Å
• c: 41.187 ± 0.005 Å
• α: 90°
• β: 93.0881 ± 0.0017°
• γ: 90°
• Cell volume: 12075 ± 2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.0598
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1229
• Weighted residual factors for all reflections included in the refinement: 0.131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No