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Information card for entry 7061178
Preview
Coordinates | 7061178.cif |
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Original paper (by DOI) | HTML |
Formula | C10 H16 B2 Cu N16 |
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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 Å3 |
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 |
Revision | Date | Message | Files |
---|---|---|---|
272724 (current) | 2022-02-04 | cif/ Updating files of 7061178 Original log message: Adding full bibliography for 7061178.cif. |
7061178.cif |
271806 | 2022-01-05 | cif/ Adding structures of 7061178 via cif-deposit CGI script. |
7061178.cif |
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