Information card for entry 7050717

Structure parameters

• Formula: C34 H27 Br N8 Os
• Calculated formula: C34 H27 Br N8 Os
• SMILES: [Os]123(Br)([n]4ccccc4N=[N]1c1ccccc1Nc1ccccc1)[n]1ccccc1N=[N]2c1ccccc1N3c1ccccc1
• Title of publication: Osmium(II) complexes of 2-[(arylamido)phenylazo]pyridines. New examples of deamination reactions—X-ray structure and redox propertiesElectronic supplementary information (ESI) available: partial energy level diagrams and molecular orbitals of 1a, 2a and 4a, UV-vis spectra of 4 complexes and cyclic voltammograms of 1b, 2b and 4b. See http://www.rsc.org/suppdata/nj/b1/b108507g/
• Authors of publication: Das, Chayan; Peng, Shie-Ming; Lee, Gene-Hsiang; Goswami, Sreebrata
• Journal of publication: New Journal of Chemistry
• Year of publication: 2002
• Journal volume: 26
• Journal issue: 2
• Pages of publication: 222
• a: 11.094 ± 0.0002 Å
• b: 19.9527 ± 0.0003 Å
• c: 14.54 ± 0.0003 Å
• α: 90°
• β: 110.873 ± 0.001°
• γ: 90°
• Cell volume: 3007.28 ± 0.1 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• 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: 0.0282
• Residual factor for significantly intense reflections: 0.0227
• Weighted residual factors for all reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.0482
• Goodness-of-fit parameter for all reflections: 1.079
• Goodness-of-fit parameter for significantly intense reflections: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No