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Information card for entry 7216863
Preview
| Coordinates | 7216863.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H8 Ca F4 O6 |
|---|---|
| Calculated formula | C10 H8 Ca F4 O6 |
| SMILES | C(c1c(F)c(c(C(=O)[O-])c(c1F)F)F)(=O)[O-].[Ca]([OH]C)[OH]C |
| Title of publication | Solvent-mediated assembly of chiral/achiral hydrophilic Ca(ii)-tetrafluoroterephthalate coordination frameworks: 3D chiral water aggregation, structural transformation and selective CO2adsorption |
| Authors of publication | Chen, Sheng-Chun; Tian, Feng; Huang, Kun-Lin; Li, Cheng-Peng; Zhong, Jing; He, Ming-Yang; Zhang, Zhi-Hui; Wang, Hong-Ning; Du, Miao; Chen, Qun |
| Journal of publication | CrystEngComm |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 33 |
| Pages of publication | 7673 |
| a | 10.95 ± 0.02 Å |
| b | 17.7 ± 0.03 Å |
| c | 7.843 ± 0.015 Å |
| α | 90° |
| β | 102.33 ± 0.04° |
| γ | 90° |
| Cell volume | 1485 ± 5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0796 |
| Residual factor for significantly intense reflections | 0.0639 |
| Weighted residual factors for significantly intense reflections | 0.1978 |
| Weighted residual factors for all reflections included in the refinement | 0.2168 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180499 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/68. |
7216863.cif |
| 121615 | 2014-08-08 | cif/ Updating files of 7216862, 7216863, 7216864 Original log message: Adding full bibliography for 7216862--7216864.cif. |
7216863.cif |
| 118256 | 2014-06-28 | cif/ Adding structures of 7216862, 7216863, 7216864 via cif-deposit CGI script. |
7216863.cif |
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Users of the data should acknowledge the original authors of the
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