Information card for entry 7131891

Structure parameters

• Common name: cis-alpha-(Diso)2OsCl2
• Chemical name: cis-alpha-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
• SMILES: [Os]12(Cl)(Cl)(Oc3c(N1c1c(cccc1C(C)C)C(C)C)cc(cc3C(C)(C)C)C(C)(C)C)N(c1c(O2)c(cc(c1)C(C)(C)C)C(C)(C)C)c1c(cccc1C(C)C)C(C)C
• 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: 18.7953 ± 0.0009 Å
• b: 12.0376 ± 0.0005 Å
• c: 22.148 ± 0.001 Å
• α: 90°
• β: 92.0871 ± 0.0017°
• γ: 90°
• Cell volume: 5007.7 ± 0.4 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: 0.0354
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0483
• Weighted residual factors for all reflections included in the refinement: 0.0507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.198
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No