Information card for entry 4079150

Structure parameters

• Formula: C23 H15 F6 N3 O4 P Re
• Calculated formula: C23 H15 F6 N3 O4 P Re
• SMILES: [Re]1([n]2cccc3ccc4ccc[n]1c4c23)(C#[O])(C#[O])(C#[O])=C1Oc2ccccc2N1C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Luminescent Rhenium(I) Phenanthroline Complexes with a Benzoxazol-2-ylidene Ligand: Synthesis, Characterization, and Photophysical Study
• Authors of publication: Ko, Chi-Chiu; Ng, Chi-On; Yiu, Shek-Man
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 20
• Pages of publication: 7074
• a: 8.1807 ± 0.0009 Å
• b: 11.7759 ± 0.0008 Å
• c: 12.6684 ± 0.0009 Å
• α: 83.666 ± 0.006°
• β: 81.993 ± 0.007°
• γ: 75.973 ± 0.007°
• Cell volume: 1168.75 ± 0.18 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 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: 0.0282
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0763
• Weighted residual factors for all reflections included in the refinement: 0.0766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CUKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No