Information card for entry 7247565

Structure parameters

• Common name: Iron-organic Compound
• Formula: C17 H16 Fe0.5 N4 O3
• Calculated formula: C17 H16 Fe0.5 N4 O3
• Title of publication: Differential supercapacitor and Schottky diode behaviours in two new isostructural coordination polymers based on redox active metal ions
• Authors of publication: Das, Chhatan; Debnath, Subhrajyoti; Patel, Vishwas D.; Gupta, Dhritiman; Banerjee, Anjan; Mahata, Partha
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 45
• Pages of publication: 6343 - 6353
• a: 7.9266 ± 0.0008 Å
• b: 8.5888 ± 0.0008 Å
• c: 11.8991 ± 0.0011 Å
• α: 82.016 ± 0.003°
• β: 87.908 ± 0.003°
• γ: 89.364 ± 0.003°
• Cell volume: 801.69 ± 0.13 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0667
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No