Information card for entry 4089168

Structure parameters

• Formula: C82 H70 N4 Os P2
• Calculated formula: C82 H70 N4 Os P2
• SMILES: [Os]123([P](c4ccccc4)(c4ccccc4)c4ccccc4[P]1(c1ccccc1)c1ccccc1)(=C1N(C)c4ccccc4N1c1c2cccc1)=C1N(C)c2ccccc2N1c1c3cccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
• Title of publication: Osmium(II) Complexes Containing a Dianionic CCCC-Donor Tetradentate Ligand
• Authors of publication: Alabau, Roberto G.; Esteruelas, Miguel A.; Oliván, Montserrat; Oñate, Enrique; Palacios, Adrián U.; Tsai, Jui-Yi; Xia, Chuanjun
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 23
• Pages of publication: 3981
• a: 12.5444 ± 0.0009 Å
• b: 14.9861 ± 0.0011 Å
• c: 18.259 ± 0.0014 Å
• α: 72.482 ± 0.001°
• β: 83.013 ± 0.001°
• γ: 78.546 ± 0.001°
• Cell volume: 3201.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections included in the refinement: 0.0768
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No