Information card for entry 4518579

Structure parameters

• Formula: C38 H26 Fe N7 O6
• Calculated formula: C38 H26 Fe N7 O6
• Title of publication: Fe-Based Coordination Polymers as Battery-Type Electrodes in Semi-Solid-State Battery-Supercapacitor Hybrid Devices.
• Authors of publication: Wang, Kuaibing; Wang, Saier; Liu, Jiadi; Guo, Yuxuan; Mao, Feifei; Wu, Hua; Zhang, Qichun
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2021
• a: 9.059 ± 0.0003 Å
• b: 11.001 ± 0.0004 Å
• c: 17.385 ± 0.0006 Å
• α: 95.258 ± 0.003°
• β: 100.869 ± 0.003°
• γ: 92.228 ± 0.003°
• Cell volume: 1691.52 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0508
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.1101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No