Information card for entry 4337668

Structure parameters

• Formula: C17.38 H10.38 Br Cl1.13 N2 O5 Re
• Calculated formula: C17.375 H10.375 Br Cl1.125 N2 O5 Re
• 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: 10.9098 ± 0.0005 Å
• b: 14.1254 ± 0.0005 Å
• c: 14.4369 ± 0.0006 Å
• α: 110.622 ± 0.004°
• β: 102.013 ± 0.004°
• γ: 90.398 ± 0.003°
• Cell volume: 2028.81 ± 0.16 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: 0.0475
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1429
• Weighted residual factors for all reflections included in the refinement: 0.1446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No