Information card for entry 4345985

Structure parameters

• Chemical name: [Os(bpy)2(dppcbO2)](PF6)2
• Formula: C72 H60 F12 N4 O2 Os P6
• Calculated formula: C72 H60 F12 N4 O2 Os P6
• SMILES: [Os]123([P]([C@H]4[C@@H]([P]1(c1ccccc1)c1ccccc1)[C@H](P(=O)(c1ccccc1)c1ccccc1)[C@@H]4P(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([n]1ccccc1c1[n]2cccc1)[n]1ccccc1c1[n]3cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Oxidative quenching within photosensitizer-acceptor dyads based on bis(bidentate) phosphine-connected osmium(II) bipyridyl light absorbers and reactive metal sites
• Authors of publication: Sylvia Eller; Barbara Trettenbrein; Dennis Oberhuber; Christof Strabler; Rene Gutmann; Wytze E. van der Veer; Markus Ruetz; Holger Kopacka; Dagmar Obendorf; Peter Bruggeller
• Journal of publication: Inorganic Chemistry Communications
• Year of publication: 2012
• Journal volume: 23
• Pages of publication: 41 - 45
• a: 13.4008 ± 0.0004 Å
• b: 20.3568 ± 0.0006 Å
• c: 26.6117 ± 0.0007 Å
• α: 90°
• β: 97.937 ± 0.001°
• γ: 90°
• Cell volume: 7190.1 ± 0.4 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 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 all reflections: 0.048
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1101
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No