Information card for entry 4300108

Structure parameters

• Formula: C49 H42 Br Cl2 N3 O Os P2
• Calculated formula: C49 H42 Br Cl2 N3 O Os P2
• SMILES: [OsH]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)([n]2c(N=[N]1c1ccccc1)cccc2)C#[O].[Br-].C(Cl)Cl
• Title of publication: Azo Anion Radical Complexes of Osmium and Related Nonradical Species
• Authors of publication: Kausikisankar Pramanik; Maya Shivakumar; Prasanta Ghosh; Animesh Chakravorty
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 195 - 199
• a: 15.323 ± 0.007 Å
• b: 15.201 ± 0.006 Å
• c: 19.542 ± 0.007 Å
• α: 90°
• β: 92.51 ± 0.03°
• γ: 90°
• Cell volume: 4547 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• 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: 0.1233
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for all reflections: 0.1734
• Weighted residual factors for significantly intense reflections: 0.1424
• Goodness-of-fit parameter for all reflections: 1.058
• Goodness-of-fit parameter for significantly intense reflections: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No