Information card for entry 4514445

Structure parameters

• Formula: C20 H13 N3 Ni O5
• Calculated formula: C20 H13 N3 Ni O5
• Title of publication: Formation of One-Dimensional Coordination Chains for High-Performance Anode Materials of Lithium-Ion Batteries via a Bottom-Up Approach.
• Authors of publication: Du, Jia; Li, Yong; Liu, Hongwen; Shi, Wei; Moskaleva, Lyudmila V.; Cheng, Peng
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2019
• Journal volume: 11
• Journal issue: 29
• Pages of publication: 25863 - 25869
• a: 7.2177 ± 0.0004 Å
• b: 10.8688 ± 0.0004 Å
• c: 22.4117 ± 0.0009 Å
• α: 90°
• β: 96.123 ± 0.004°
• γ: 90°
• Cell volume: 1748.12 ± 0.14 ų
• Cell temperature: 120 ± 10 K
• Ambient diffraction temperature: 120 ± 10 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: 0.0721
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1307
• Goodness-of-fit parameter for all reflections included in the refinement: 0.833
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No