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Information card for entry 7221147
Preview
| Coordinates | 7221147.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H52.5 Cu3 N4 O22.25 |
|---|---|
| Calculated formula | C42 H38 Cu3 N4 O16.125 |
| Title of publication | Synthesis and gas sorption properties of a homochiral metal‒organic framework with octahedral cages |
| Authors of publication | Xu, Zhong-Xuan; Wu, Xin; Liu, Juan; Kang, Yao; Zhang, Jian |
| Journal of publication | CrystEngComm |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 32 |
| Pages of publication | 6107 |
| a | 20.7929 ± 0.0008 Å |
| b | 12.4871 ± 0.0007 Å |
| c | 19.5025 ± 0.0009 Å |
| α | 90° |
| β | 97.329 ± 0.004° |
| γ | 90° |
| Cell volume | 5022.3 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0668 |
| Residual factor for significantly intense reflections | 0.0549 |
| Weighted residual factors for significantly intense reflections | 0.133 |
| Weighted residual factors for all reflections included in the refinement | 0.1418 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.108 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176429 (current) | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
7221147.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7221147.cif |
| 153127 | 2015-08-08 | cif/ Updating files of 7221147 Original log message: Adding full bibliography for 7221147.cif. |
7221147.cif |
| 141540 | 2015-07-10 | cif/ Adding structures of 7221147 via cif-deposit CGI script. |
7221147.cif |
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Users of the data should acknowledge the original authors of the
structural data.