Information card for entry 7240806

Structure parameters

• Formula: C6 H3 Co N18
• Calculated formula: C6 H3 Co N18
• Title of publication: Synthesis and characterization of a new energetic metal‒organic framework for use in potential propellant compositions
• Authors of publication: Wu, Shuo; Li, Min; Yang, Zhengyi; Xia, Zhengqiang; Liu, Bin; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping; Gao, Shengli; Lu, Jack Y.
• Journal of publication: Green Chemistry
• Year of publication: 2020
• Journal volume: 22
• Journal issue: 15
• Pages of publication: 5050 - 5058
• a: 8.616 ± 0.004 Å
• b: 8.888 ± 0.004 Å
• c: 17.715 ± 0.008 Å
• α: 90°
• β: 96.499 ± 0.009°
• γ: 90°
• Cell volume: 1347.9 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1007
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1249
• Weighted residual factors for all reflections included in the refinement: 0.1496
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No