Information card for entry 7122545

Structure parameters

• Formula: C17 H17 Br3 Cr N5
• Calculated formula: C17 H17 Br3 Cr N5
• Title of publication: Versatile heteroleptic bis-terdentate Cr(iii) chromophores displaying room temperature millisecond excited state lifetimes.
• Authors of publication: Jiménez, Juan-Ramón; Doistau, Benjamin; Besnard, Céline; Piguet, Claude
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 94
• Pages of publication: 13228 - 13231
• a: 9.35425 ± 0.00014 Å
• b: 15.1963 ± 0.0002 Å
• c: 13.72684 ± 0.00018 Å
• α: 90°
• β: 95.8596 ± 0.0013°
• γ: 90°
• Cell volume: 1941.07 ± 0.05 ų
• Cell temperature: 180 ± 0.1 K
• Ambient diffraction temperature: 180 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.1247
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No