Information card for entry 4086652

Structure parameters

• Formula: C29 H28 F12 N8 Os P2
• Calculated formula: C29 H28 F12 N8 Os P2
• SMILES: c1cccc2c3cccc[n]3[Os]34(=C5N(C=CN5CN5C=3N(C=C5)C)C)([n]12)[n]1ccccc1c1cccc[n]41.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Osmium(II) Complexes Bearing Chelating N-Heterocyclic Carbene and Pyrene-Modified Ligands: Surface Electrochemistry and Electron Transfer Mediation of Oxygen Reduction by Multicopper Enzymes
• Authors of publication: Lalaoui, Noémie; Reuillard, Bertrand; Philouze, Christian; Holzinger, Michael; Cosnier, Serge; Le Goff, Alan
• Journal of publication: Organometallics
• Year of publication: 2016
• a: 17.9937 ± 0.0009 Å
• b: 9.9566 ± 0.0006 Å
• c: 18.6293 ± 0.0009 Å
• α: 90°
• β: 90.761 ± 0.005°
• γ: 90°
• Cell volume: 3337.3 ± 0.3 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1425
• Residual factor for significantly intense reflections: 0.0729
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.1352
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No