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Information card for entry 7117867
Preview
| Coordinates | 7117867.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H6 Cu F3 O5 |
|---|---|
| Calculated formula | C12 H6 Cu F3 O5 |
| Title of publication | A microporous metal-organic framework with polarized trifluoromethyl groups for high methane storage. |
| Authors of publication | Chang, Ganggang; Li, Bin; Wang, Hailong; Bao, Zongbi; Yildirim, Taner; Yao, Zizhu; Xiang, Shengchang; Zhou, Wei; Chen, Banglin |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2015 |
| Journal volume | 51 |
| Journal issue | 79 |
| Pages of publication | 14789 - 14792 |
| a | 18.5283 ± 0.0004 Å |
| b | 18.5283 ± 0.0004 Å |
| c | 38.8075 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 11537.7 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 166 |
| Hermann-Mauguin space group symbol | R -3 m :H |
| Hall space group symbol | -R 3 2" |
| Residual factor for all reflections | 0.0627 |
| Residual factor for significantly intense reflections | 0.0583 |
| Weighted residual factors for significantly intense reflections | 0.1917 |
| Weighted residual factors for all reflections included in the refinement | 0.1975 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.282 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
7117867.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. |
7117867.cif |
| 160597 | 2015-10-07 | cif/ Adding structures of 7117867 via cif-deposit CGI script. |
7117867.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.