Information card for entry 7719878

Structure parameters

• Formula: C14 H9 Br N5 O3 Re
• Calculated formula: C14 H9 Br N5 O3 Re
• Title of publication: Methylated regioisomers of Re(I) and Ir(III) tetrazole complexes: photophysical properties and optical imaging of brain tissue
• Authors of publication: Dallerba, Elena; Cameron, Lee; Armstrong, Blake I.; Ellison, Gaewyn; Turner, Eva; Innes, Evelyn; Strickling, Georgia L.; Pangiarella, Joel Ethan; O'Conghaile, Peter; Nesbit, Michael; Moggach, Stephen A.; Raiteri, Paolo; Stagni, Stefano; Pearson, Emma; Hackett, Mark; Massi, Massimiliano
• Journal of publication: Dalton Transactions
• Year of publication: 2025
• a: 6.979 ± 0.0001 Å
• b: 10.4284 ± 0.0001 Å
• c: 11.2401 ± 0.0001 Å
• α: 89.499 ± 0.001°
• β: 89.701 ± 0.001°
• γ: 72.362 ± 0.001°
• Cell volume: 779.563 ± 0.016 ų
• Cell temperature: 102 ± 3 K
• Ambient diffraction temperature: 102 ± 3 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0205
• Residual factor for significantly intense reflections: 0.0205
• Weighted residual factors for significantly intense reflections: 0.0524
• Weighted residual factors for all reflections included in the refinement: 0.0525
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No