Information card for entry 4337670

Structure parameters

• Formula: C28 H20 Cl2 F6 N4 O3 P Re
• Calculated formula: C28 H20 Cl2 F6 N4 O3 P Re
• SMILES: [Re]1([n]2ccccc2c2[n]1cccc2)(C#[O])(C#[O])(C#[N]c1ccc(Cl)cc1)=C1OCCN1c1ccc(Cl)cc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Synthesis, characterization, and photophysical study of luminescent rhenium(i) diimine complexes with various types of N-heterocyclic carbene ligands.
• Authors of publication: Ng, Chi-On; Yiu, Shek-Man; Ko, Chi-Chiu
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 6
• Pages of publication: 3022 - 3031
• a: 18.281 ± 0.0012 Å
• b: 17.0715 ± 0.0007 Å
• c: 21.2735 ± 0.0018 Å
• α: 90°
• β: 114.253 ± 0.008°
• γ: 90°
• Cell volume: 6053.2 ± 0.8 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 8
• 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: 0.0734
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.195
• Weighted residual factors for all reflections included in the refinement: 0.256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.235
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CUKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No