Information card for entry 4517134

Structure parameters

• Formula: C14 H14 Fe2 N2 O13
• Calculated formula: C14 H11 Fe2 N2 O13
• Title of publication: Correction to “Temperature-Induced Single-Crystal-to-Single-Crystal Transformations with Consequential Changes in the Magnetic Properties of Fe(III) Complexes”
• Authors of publication: Adhikary, Amit; Akhtar, Sohel; Pariyar, Anand; Batsanov, Andrei S.; Mondal, Raju
• Journal of publication: ACS Omega
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 23
• Pages of publication: 20423
• a: 11.3981 ± 0.0011 Å
• b: 21.713 ± 0.002 Å
• c: 7.5145 ± 0.0007 Å
• α: 90°
• β: 90.043 ± 0.004°
• γ: 90°
• Cell volume: 1859.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0829
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1271
• Weighted residual factors for all reflections included in the refinement: 0.1517
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No