Information card for entry 4345086

Structure parameters

• Formula: C40 H28 N5 O2 Os P
• Calculated formula: C40 H28 N5 O2 Os P
• SMILES: [Os]1(Oc2ccccc2c2oc3ccccc3[n]12)(#N)(C#N)(C#N)C#N.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Dual Pathways in the Oxidation of an Osmium(III) Guanidine Complex. Formation of Osmium(VI) Nitrido and Osmium Nitrosyl Complex.
• Authors of publication: Xiang, Jing; Wang, Qian; Yiu, Shek-Man; Lau, Tai-Chu
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 4
• Pages of publication: 2022 - 2028
• a: 11.5921 ± 0.0001 Å
• b: 13.8526 ± 0.0001 Å
• c: 21.0122 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3374.15 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0152
• Residual factor for significantly intense reflections: 0.0148
• Weighted residual factors for significantly intense reflections: 0.037
• Weighted residual factors for all reflections included in the refinement: 0.0371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No