Information card for entry 4329991

Structure parameters

• Formula: C25 H21 F6 N6 O Os P
• Calculated formula: C25 H21 F6 N6 O Os P
• SMILES: C12N(C=CN1c1c3c(ccc1)N1C(N(C=C1)C)=[Os]1=23(C#[O])[n]2ccccc2c2cccc[n]12)C.[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: 27.2252 ± 0.0005 Å
• b: 11.592 ± 0.0002 Å
• c: 8.1745 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2579.83 ± 0.09 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0302
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No