Information card for entry 4349100

Structure parameters

• Formula: C43 H52 F12 Fe N8 O P2
• Calculated formula: C43 H52 F12 Fe N8 O P2
• Title of publication: Six- and seven-coordinate Fe(ii) and Zn(ii) compounds ligated by unsymmetric xanthene-based ligands: characterization and magnetic properties
• Authors of publication: Haas, Ruth M.; Arshad, Muhammad; Anthony, James; Altmann, Philipp J.; Pöthig, Alexander; Köhler, Frank H.; Hess, Corinna R.
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2016
• Journal volume: 3
• Journal issue: 5
• Pages of publication: 616
• a: 11.8732 ± 0.0014 Å
• b: 12.7552 ± 0.0015 Å
• c: 16.3941 ± 0.0018 Å
• α: 76.579 ± 0.005°
• β: 83.331 ± 0.005°
• γ: 82.122 ± 0.005°
• Cell volume: 2383 ± 0.5 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0372
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No