Information card for entry 7044099

Structure parameters

• Formula: C41 H49 Cu N12 O68 P2 W18
• Calculated formula: C41 H33 Cu N12 O68 P2 W18
• Title of publication: A coordination polymer based on dinuclear (pyrazinyl tetrazolate) copper(II) cations and Wells-Dawson anions for high-performance supercapacitor electrodes
• Authors of publication: Wang, Guangning; Chen, tingting; Li, Shaobin; Pang, Haijun; Ma, Huiyuan
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 13.9484 ± 0.0009 Å
• b: 28.7451 ± 0.0017 Å
• c: 21.4103 ± 0.0013 Å
• α: 90°
• β: 94.09 ± 0.001°
• γ: 90°
• Cell volume: 8562.6 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• 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: 0.0791
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.1279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No