Information card for entry 4321437

Structure parameters

• Common name: [OsCl(dcpe)2]PF6
• Formula: C52 H96 Cl F6 Os P5
• Calculated formula: C52 H96 Cl F6 Os P5
• SMILES: [Os]12(Cl)([P](CC[P]1(C1CCCCC1)C1CCCCC1)(C1CCCCC1)C1CCCCC1)[P](CC[P]2(C1CCCCC1)C1CCCCC1)(C1CCCCC1)C1CCCCC1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Oxo Complexes of Osmium(IV) Formed via Dioxygen Activation. X-ray Structures of [OsX(dcpe)2]PF6 (X = Cl, Br), [OsCl(η2-O2)(dcpe)2]BPh4, and [OsCl(O)(dcpe)2]BPh4 (dcpe = 1,2-Bis(dicyclohexylphosphino)ethane)
• Authors of publication: Peter Barthazy; Michael Wörle; Heinz Rüegger; Antonio Mezzetti
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 4903 - 4912
• a: 14.632 ± 0.002 Å
• b: 14.655 ± 0.002 Å
• c: 26.239 ± 0.004 Å
• α: 90°
• β: 100.25°
• γ: 90°
• Cell volume: 5536.7 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0348
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0588
• Weighted residual factors for all reflections included in the refinement: 0.063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No