Information card for entry 7721186

Structure parameters

• Common name: fac-[Re(CO)3Br(Phen5MeSal)Re(CO)3(MeOH)]
• Chemical name: fac-{2-([1,10-Phenanthrolin-5-ylimino]methyl)phenolato-N,N'}-(methanol)(bromido)-hexacarbonyl-di-rhenium(I)
• Formula: C27 H23.04 Br N3 O10.52 Re2
• Calculated formula: C27 H20.036 Br N3 O9.018 Re2
• Title of publication: Engineering the rhenium metalation of phenanthroline imino complexes for variable structure activity relationships.
• Authors of publication: Jacobs, Frederick J. F.; Fourie, Eleanor; Brink, Alice
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2026
• a: 7.8174 ± 0.0014 Å
• b: 10.9256 ± 0.0017 Å
• c: 18.312 ± 0.003 Å
• α: 76.475 ± 0.006°
• β: 84.564 ± 0.008°
• γ: 81.83 ± 0.007°
• Cell volume: 1502.1 ± 0.4 ų
• Cell temperature: 109 ± 2 K
• Ambient diffraction temperature: 109 ± 2 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: 0.0609
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections included in the refinement: 0.1143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No