Information card for entry 4309141

Structure parameters

• Formula: C14 H5 F4 N O6 Os
• Calculated formula: C14 H5 F4 N O6 Os
• SMILES: [Os]1(OC(=O)C(F)(F)F)(Oc2c3[n]1cccc3c(F)cc2)(C#[O])(C#[O])C#[O]
• Title of publication: Dual Room-Temperature Fluorescent and Phosphorescent Emission in 8-Quinolinolate Osmium(II) Carbonyl Complexes: Rationalization and Generalization of Intersystem Crossing Dynamics
• Authors of publication: Yi-Ming Cheng; Yu-Shan Yeh; Mei-Lin Ho; Pi-Tai Chou; Po-Shen Chen; Yun Chi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 4594 - 4603
• a: 19.284 ± 0.0006 Å
• b: 10.5425 ± 0.0003 Å
• c: 16.8868 ± 0.0005 Å
• α: 90°
• β: 117.088 ± 0.001°
• γ: 90°
• Cell volume: 3056.53 ± 0.16 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0245
• Residual factor for significantly intense reflections: 0.0206
• Weighted residual factors for significantly intense reflections: 0.0429
• Weighted residual factors for all reflections included in the refinement: 0.0441
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No