Information card for entry 4349102

Structure parameters

• Formula: C38 H42 Cl2 F6 N4 O7 S2 Zn
• Calculated formula: C38 H42 Cl2 F6 N4 O7 S2 Zn
• 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: 10.361 ± 0.003 Å
• b: 15.945 ± 0.004 Å
• c: 25.761 ± 0.006 Å
• α: 90°
• β: 93.772 ± 0.014°
• γ: 90°
• Cell volume: 4246.7 ± 1.9 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• 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: 0.0444
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0789
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No