Information card for entry 7131887

Structure parameters

• Common name: trans-(CF3Tio)2RuCl2
• Chemical name: trans-bis(N-2'-(3,5,3",5"-tetrakis(trifluoromethyl- terphenyl)-4,6-di-tert-butyl-2-iminobenzoquinone) ruthenium dichloride
• Formula: C72 H58 Cl2 F24 N2 O2 Ru
• Calculated formula: C72 H58 Cl2 F24 N2 O2 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: 13.2962 ± 0.0013 Å
• b: 13.5768 ± 0.0014 Å
• c: 21.676 ± 0.002 Å
• α: 76.1839 ± 0.0015°
• β: 82.2455 ± 0.0015°
• γ: 68.8954 ± 0.0014°
• Cell volume: 3539.7 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0556
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No