Information card for entry 7721187

Structure parameters

• Common name: fac-[Re(CO)3(Phen5MeSal)]2
• Chemical name: fac-bis{2-([1,10-Phenanthrolin-5-ylimino]methyl)phenol-N,N'}-hexacarbonyl-di-rhenium(I)]
• Formula: C50.31 H39.19 N7.43 O10 Re2
• Calculated formula: C50.3098 H39.183 N7.4366 O10 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: 10.0739 ± 0.0004 Å
• b: 21.6296 ± 0.0008 Å
• c: 11.0985 ± 0.0004 Å
• α: 90°
• β: 102.883 ± 0.001°
• γ: 90°
• Cell volume: 2357.43 ± 0.15 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.0328
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0641
• Weighted residual factors for all reflections included in the refinement: 0.0659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No