Information card for entry 7039800

Structure parameters

• Formula: C36 H25 Cl2 F6 N8 O Os P
• Calculated formula: C36 H25 Cl2 F6 N8 O Os P
• SMILES: c12c3cccc[n]3[Os]3(C#[O])(n1nc(C(F)(F)F)n2)(n1c(c2cccc[n]32)nc(C(F)(F)F)n1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl
• Title of publication: Osmium(ii) complexes for light-driven aerobic oxidation of amines to imines.
• Authors of publication: Li, Yong-Hui; Liu, Xiao-Le; Yu, Zhen-Tao; Li, Zhao-Sheng; Yan, Shi-Cheng; Chen, Guang-Hui; Zou, Zhi-Gang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 31
• Pages of publication: 12400 - 12408
• a: 10.816 ± 0.0005 Å
• b: 13.4759 ± 0.0006 Å
• c: 14.5272 ± 0.0006 Å
• α: 62.813 ± 0.001°
• β: 89.808 ± 0.002°
• γ: 84.357 ± 0.002°
• Cell volume: 1872.29 ± 0.14 ų
• Cell temperature: 171 ± 2 K
• Ambient diffraction temperature: 171 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0451
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0628
• Weighted residual factors for all reflections included in the refinement: 0.0669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No