Information card for entry 4333606

Structure parameters

• Formula: C30 H30 F6 N4 O4 Os P
• Calculated formula: C30 H30 F6 N4 O4 Os P
• SMILES: [Os]123(OC(=O)c4ccccc4)(OC(=O)c4ccccc4)[N]4(C)Cc5[n]1c(ccc5)C[N]2(C)Cc1[n]3c(ccc1)C4.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: C-H Bond Activation of the Methyl Group of the Supporting Ligand in an Osmium(III) Complex upon Reaction with H2O2: Formation of an Organometallic Osmium(IV) Complex
• Authors of publication: Hideki Sugimoto; Kenji Ashikari; Shinobu Itoh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 543 - 545
• a: 15.1772 ± 0.0004 Å
• b: 13.1282 ± 0.0003 Å
• c: 16.2757 ± 0.0005 Å
• α: 90°
• β: 106.364 ± 0.0007°
• γ: 90°
• Cell volume: 3111.56 ± 0.15 ų
• Cell temperature: 108 K
• Ambient diffraction temperature: 108 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for all reflections included in the refinement: 0.1133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.241
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No