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Information card for entry 1544064
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Coordinates | 1544064.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C84 H48 Cu3 O15 |
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Calculated formula | C84 H48 Cu3 O15 |
Title of publication | Evaluating topologically diverse metal‒organic frameworks for cryo-adsorbed hydrogen storage |
Authors of publication | Gómez-Gualdrón, Diego A.; Colón, Yamil J.; Zhang, Xu; Wang, Timothy C.; Chen, Yu-Sheng; Hupp, Joseph T.; Yildirim, Taner; Farha, Omar K.; Zhang, Jian; Snurr, Randall Q. |
Journal of publication | Energy Environ. Sci. |
Year of publication | 2016 |
Journal volume | 9 |
Journal issue | 10 |
Pages of publication | 3279 |
a | 39.618 ± 0.003 Å |
b | 39.618 ± 0.003 Å |
c | 39.618 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 62184 ± 8 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 229 |
Hermann-Mauguin space group symbol | I m -3 m |
Hall space group symbol | -I 4 2 3 |
Residual factor for all reflections | 0.153 |
Residual factor for significantly intense reflections | 0.1388 |
Weighted residual factors for significantly intense reflections | 0.349 |
Weighted residual factors for all reflections included in the refinement | 0.3607 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.134 |
Diffraction radiation wavelength | 0.4428 Å |
Diffraction radiation type | Synchrotron |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1544064.html
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structural data.