Information card for entry 4084807

Structure parameters

• Formula: C58 H16 B2 F30 N6 Os
• Calculated formula: C58 H16 B2 F30 N6 Os
• SMILES: [Os]12([n]3ccccc3c3[n]1cccc3)([n]1ccccc1c1[n]2cccc1)(C#[N][B](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)C#[N][B](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Neutral Luminescent Bis(bipyridyl) Osmium(II) Complexes with Improved Phosphorescent Properties
• Authors of publication: Chu, Wing-Kin; Yiu, Shek-Man; Ko, Chi-Chiu
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 23
• Pages of publication: 6771
• a: 12.0722 ± 0.0002 Å
• b: 25.163 ± 0.0003 Å
• c: 21.9773 ± 0.0003 Å
• α: 90°
• β: 103.968 ± 0.001°
• γ: 90°
• Cell volume: 6478.7 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.027
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.0636
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CUKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No