Information card for entry 7721184

Structure parameters

• Common name: fac-[Re(CO)3(Phen5MeSalH)(Cl)]
• Chemical name: fac-Tricarbonyl-{2-([1,10-phenanthrolin-5-ylimino]methyl)phenol-N,N'}-(chlorido)-rhenium(I)
• Formula: C32 H24 Cl N3 O4 Re
• Calculated formula: C32 H24 Cl N3 O4 Re
• 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: 10.9122 ± 0.0015 Å
• b: 10.982 ± 0.0013 Å
• c: 14.3688 ± 0.0019 Å
• α: 110.547 ± 0.005°
• β: 91.907 ± 0.005°
• γ: 116.622 ± 0.004°
• Cell volume: 1403.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0549
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.0817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.184
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No