Information card for entry 7061178

Structure parameters

• Formula: C10 H16 B2 Cu N16
• Calculated formula: C10 H16 B2 Cu N16
• Title of publication: Synthesis, structure and properties of a high-energy metal–organic framework fuel [Cu(MTZ)2(CTB)2]n
• Authors of publication: Mei, Haozheng; Xu, Yiqiang; Lei, Guorong; Cao, Wenli; Li, Zhimin; Zhang, Jianguo
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 4
• Pages of publication: 1687 - 1692
• a: 13.507 ± 0.003 Å
• b: 8.2794 ± 0.0017 Å
• c: 16.968 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1897.5 ± 0.7 ų
• Cell temperature: 439.6 K
• Ambient diffraction temperature: 439.6 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1434
• Residual factor for significantly intense reflections: 0.1128
• Weighted residual factors for significantly intense reflections: 0.1589
• Weighted residual factors for all reflections included in the refinement: 0.1699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.31
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No