Information card for entry 7240923

Structure parameters

• Formula: C20 H23 Fe N6 O4
• Calculated formula: C20 H23 Fe N6 O4
• Title of publication: Synthesis, characterization, self-assembly and non-ohmic Schottky barrier diode behaviors of two iron(iii) based semiconductors with theoretical insight
• Authors of publication: Basak, Tanmoy; Das, Dhananjoy; Ray, Partha Pratim; Banerjee, Snehasis; Chattopadhyay, Shouvik
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 10.7235 ± 0.001 Å
• b: 10.3296 ± 0.0009 Å
• c: 19.0512 ± 0.0016 Å
• α: 90°
• β: 102.018 ± 0.003°
• γ: 90°
• Cell volume: 2064 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0531
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No