Information card for entry 4337672

Structure parameters

• Formula: C28.25 H20.5 Cl2.5 F6 N4 O2 P Re S
• Calculated formula: C28.25 H20 Cl2.5 F6 N4 O2 P Re S
• 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: 17.2744 ± 0.0007 Å
• b: 9.8309 ± 0.0003 Å
• c: 20.7285 ± 0.0007 Å
• α: 90°
• β: 112.302 ± 0.004°
• γ: 90°
• Cell volume: 3256.9 ± 0.2 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1416
• Weighted residual factors for all reflections included in the refinement: 0.145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No