Information card for entry 4329992

Structure parameters

• Formula: C28 H23 Cl2 F6 N6 O Os P
• Calculated formula: C28 H23 Cl2 F6 N6 O Os P
• SMILES: C12N(C=CN1c1c3c(ccc1)N1C(N(C=C1)C)=[Os]1=23(C#[O])[n]2cccc3c2c2c(ccc[n]12)cc3)C.C(Cl)Cl.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Emissive Osmium(II) Complexes Supported by N-Heterocyclic Carbene-based C^C^C-Pincer Ligands and Aromatic Diimines
• Authors of publication: Lai-Hon Chung; Siu-Chung Chan; Wing-Chun Lee; Chun-Yuen Wong
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 8693 - 8703
• a: 11.6127 ± 0.0004 Å
• b: 14.5454 ± 0.0006 Å
• c: 17.8962 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3022.9 ± 0.2 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 8
• 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: 0.0349
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No