Information card for entry 4349138

Structure parameters

• Formula: C35 H25 Br N5 O3 Re
• Calculated formula: C35 H25 Br N5 O3 Re
• Title of publication: Excited States of Triphenylamine-Substituted 2-Pyridyl-1,2,3-triazole Complexes.
• Authors of publication: Huff, Gregory S.; Lo, Warrick K. C.; Horvath, Raphael; Turner, Jack O.; Sun, Xue-Zhong; Weal, Geoffrey R.; Davidson, Hannah J.; Kennedy, Aaron D. W.; McAdam, C. John; Crowley, James D.; George, Michael W.; Gordon, Keith C.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 23
• Pages of publication: 12238 - 12253
• a: 15.4671 ± 0.0003 Å
• b: 13.1261 ± 0.0002 Å
• c: 15.3956 ± 0.0003 Å
• α: 90°
• β: 104.962 ± 0.002°
• γ: 90°
• Cell volume: 3019.69 ± 0.1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0325
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0625
• Weighted residual factors for all reflections included in the refinement: 0.0636
• Goodness-of-fit parameter for all reflections included in the refinement: 1.241
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No