Information card for entry 4337671

Structure parameters

• Formula: C28 H21 Cl2 F6 N5 O2 P Re
• Calculated formula: C28 H21 Cl2 F6 N5 O2 P Re
• SMILES: C(#[O])[Re]1(C#[O])(C#[N]c2ccc(cc2)Cl)(=C2NCCN2c2ccc(cc2)Cl)[n]2ccccc2c2cccc[n]12.[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: 8.9611 ± 0.0003 Å
• b: 11.5117 ± 0.0005 Å
• c: 15.4666 ± 0.0007 Å
• α: 90.121 ± 0.003°
• β: 100.348 ± 0.003°
• γ: 107.215 ± 0.003°
• Cell volume: 1496.63 ± 0.11 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1448
• Weighted residual factors for all reflections included in the refinement: 0.1454
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No