Information card for entry 4304730

Structure parameters

• Formula: C34 H26 N8 Os
• Calculated formula: C34 H26 N8 Os
• SMILES: [Os]1234([N](=Nc5[n]1cccc5)c1ccccc1N4c1ccccc1)[N](=Nc1[n]3cccc1)c1ccccc1N2c1ccccc1
• Title of publication: Singlet Diradical Complexes of Ruthenium and Osmium: Geometrical and Electronic Structures and their Unexpected Changes on Oxidation
• Authors of publication: Subhas Samanta; Priti Singh; Jan Fiedler; Stanislav Záliš; Wolfgang Kaim; Sreebrata Goswami
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 1625 - 1633
• a: 10.3341 ± 0.001 Å
• b: 16.0851 ± 0.0015 Å
• c: 16.7074 ± 0.0016 Å
• α: 90°
• β: 90.453 ± 0.002°
• γ: 90°
• Cell volume: 2777.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.049
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0776
• Weighted residual factors for all reflections included in the refinement: 0.0817
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No