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Information card for entry 7248440
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Coordinates | 7248440.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | (H2dobpdc)(GuaH)2 |
---|---|
Formula | C16 H20 N6 O6 |
Calculated formula | C16 H20 N6 O6 |
Title of publication | A highly stable hydrogen-bonded organic framework for hydrogen storage |
Authors of publication | Song, Jeong Hwa; Jeon, Byeong Hak; Kang, Dong Won |
Journal of publication | CrystEngComm |
Year of publication | 2024 |
Journal volume | 26 |
Journal issue | 18 |
Pages of publication | 2342 - 2345 |
a | 4.804 ± 0.001 Å |
b | 18.247 ± 0.004 Å |
c | 9.818 ± 0.002 Å |
α | 90° |
β | 104 ± 0.03° |
γ | 90° |
Cell volume | 835.1 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0818 |
Residual factor for significantly intense reflections | 0.0806 |
Weighted residual factors for significantly intense reflections | 0.2449 |
Weighted residual factors for all reflections included in the refinement | 0.2481 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.142 |
Diffraction radiation wavelength | 0.7 Å |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
292977 (current) | 2024-07-05 | cif/ Updating files of 7248440 Original log message: Adding full bibliography for 7248440.cif. |
7248440.cif |
291275 | 2024-04-19 | cif/ Adding structures of 7248440 via cif-deposit CGI script. |
7248440.cif |
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