Information card for entry 4333605

Structure parameters

• Formula: C16.66667 H21 Cl2 F6 N4.33333 Os P
• Calculated formula: C16.6667 H21 Cl2 F6 N4.33333 Os P
• SMILES: [Os]123(Cl)(Cl)[N]4(C)Cc5[n]1c(ccc5)C[N]2(C)Cc1[n]3c(ccc1)C4.[P](F)(F)(F)(F)(F)[F-].N#CC
• 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: 21.1268 ± 0.0005 Å
• b: 24.0214 ± 0.0006 Å
• c: 13.5052 ± 0.0004 Å
• α: 90°
• β: 102.462°
• γ: 90°
• Cell volume: 6692.3 ± 0.3 ų
• Cell temperature: 103 K
• Ambient diffraction temperature: 103 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for all reflections included in the refinement: 0.1336
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No