Information card for entry 4115328

Structure parameters

• Common name: Complex3
• Chemical name: Complex3
• Formula: C84 H70 As2 N4 O7 Os S2
• Calculated formula: C84 H70 As2 N4 O7 Os S2
• SMILES: [Os]123([As](C=C[As]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([n]1c(cc(cc1)c1ccccc1)c1[n]2ccc(c1)c1ccccc1)[n]1c(cc(cc1)c1ccccc1)c1[n]3ccc(c1)c1ccccc1.S(=O)(=O)([O-])c1ccc(cc1)C.S(=O)(=O)([O-])c1ccc(cc1)C.O
• Title of publication: Divalent Osmium Complexes: Synthesis, Characterization, Strong Red Phosphorescence, and Electrophosphorescence
• Authors of publication: Brenden Carlsen; Gregory D. Phelan; Werner Kaminsky; Larry R. Dalton; Xuezhong Jiang; Sen Liu; Alex K-Y. Jen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 14162 - 14172
• a: 18.329 ± 0.005 Å
• b: 17.24 ± 0.01 Å
• c: 22.048 ± 0.009 Å
• α: 90°
• β: 99.055 ± 0.011°
• γ: 90°
• Cell volume: 6880 ± 5 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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: 0.178
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 0.896
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No