Information card for entry 7131890

Structure parameters

• Common name: trans-(Diso)2OsCl2
• Chemical name: trans-Dichlorobis(N-(2,6-diisopropylphenyl)-4,6-di-tert-butyl- 1,2-benzoiminoxolene)osmium
• Formula: C52 H74 Cl2 N2 O2 Os
• Calculated formula: C52 H74 Cl2 N2 O2 Os
• 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: 17.3519 ± 0.0019 Å
• b: 22.294 ± 0.003 Å
• c: 13.7682 ± 0.0015 Å
• α: 90°
• β: 100.358 ± 0.0017°
• γ: 90°
• Cell volume: 5239.3 ± 1.1 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: 0.0694
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.1297
• Goodness-of-fit parameter for all reflections included in the refinement: 1.302
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No