Information card for entry 1575242

Structure parameters

• Formula: C31 H27 N5 Ni O8
• Calculated formula: C28 H18 N4 Ni O6
• Title of publication: Rational crystal engineering of conductive metal-organic frameworks for promising electrochemical energy storage.
• Authors of publication: Tai, Hongbo; Zhang, Xuan; Rong, Yang; Liu, Zhiliang
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 34
• Pages of publication: 15438 - 15445
• a: 10.1 ± 0.002 Å
• b: 13.535 ± 0.003 Å
• c: 14.671 ± 0.003 Å
• α: 104.991 ± 0.006°
• β: 109.272 ± 0.006°
• γ: 94.427 ± 0.006°
• Cell volume: 1799.5 ± 0.7 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0706
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1607
• Weighted residual factors for all reflections included in the refinement: 0.1696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No