Information card for entry 7115534

Structure parameters

• Formula: C51 H41 F6 N6 O8 Os P
• Calculated formula: C51 H41 F6 N6 O8 Os P
• SMILES: [Os]1234([n]5ccccc5c5cc(N(c6ccc(OC)cc6)c6ccc(OC)cc6)cc(c45)c4[n]1cccc4)[n]1ccc(cc1c1[n]2c(cc(c1)C(=O)OC)c1[n]3ccc(c1)C(=O)OC)C(=O)OC.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Organic-inorganic mixed-valence systems with strongly-coupled triarylamine and cyclometalated osmium
• Authors of publication: Hai-Jing Nie; Jiang-Yang Shao; Chang-Jiang Yao; Yu-Wu Zhong
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 10082
• a: 9.349 ± 0.002 Å
• b: 14.949 ± 0.004 Å
• c: 20.583 ± 0.005 Å
• α: 106.442 ± 0.004°
• β: 90.995 ± 0.003°
• γ: 94.554 ± 0.004°
• Cell volume: 2747.9 ± 1.2 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No