Information card for entry 7712085

Structure parameters

• Chemical name: {1-[(2-chlorophenyl)-diphenyl-methyl]imidazole}1,10-phenanthroline fac-tricarbonyl rhenium(I) hexafluorophosphate
• Formula: C37 H25 Cl F6 N4 O3 P Re
• Calculated formula: C37 H25 Cl N4 O3 Re
• Title of publication: Multifunctional organometallic compounds for the treatment of Chagas disease: Re(I) tricarbonyl compounds with two different bioactive ligands.
• Authors of publication: Soba, Mariano; Scalese, Gonzalo; Casuriaga, Federico; Pérez, Nicolás; Veiga, Nicolás; Echeverría, Gustavo A; Piro, Oscar E.; Faccio, Ricardo; Pérez-Díaz, Leticia; Gasser, Gilles; Machado, Ignacio; Gambino, Dinorah
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• Journal volume: 52
• Journal issue: 6
• Pages of publication: 1623 - 1641
• a: 11.3683 ± 0.0003 Å
• b: 12.15 ± 0.0003 Å
• c: 14.2904 ± 0.0004 Å
• α: 110.797 ± 0.002°
• β: 99.919 ± 0.002°
• γ: 103.574 ± 0.002°
• Cell volume: 1721.3 ± 0.09 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0375
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0599
• Weighted residual factors for all reflections included in the refinement: 0.0632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No