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Information card for entry 7214519
Preview
| Coordinates | 7214519.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H24 N6 O14 Zn |
|---|---|
| Calculated formula | C38 H24 N6 O14 Zn |
| Title of publication | Construction and modulation of structural diversity in acylamide-MOFs |
| Authors of publication | Huang, Shu-Yun; Li, Jian-Qiang; Liu, Shu-Juan; Ning, Yang; Meng, Li-Na; Li, Jin-Yuan; Luo, Ming-Biao; Luo, Feng |
| Journal of publication | CrystEngComm |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 25 |
| Pages of publication | 5608 |
| a | 15.0919 ± 0.0005 Å |
| b | 14.1967 ± 0.0005 Å |
| c | 18.1636 ± 0.0006 Å |
| α | 90° |
| β | 112.283 ± 0.002° |
| γ | 90° |
| Cell volume | 3601 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0669 |
| Residual factor for significantly intense reflections | 0.0425 |
| Weighted residual factors for significantly intense reflections | 0.0971 |
| Weighted residual factors for all reflections included in the refinement | 0.1073 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180476 (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 7/21/45. |
7214519.cif |
| 132589 | 2015-03-02 | cif/ (antanas@koala.ibt.lt) Multiple CIFs contained incorrect '_refined_diff_density_rms' tag values, consisting of the actual numerical values and a trailing substrings that were accidentaly concatinated to the end of the values. The values were malformed upon deposition due to incorrect comment markup (comments were not prefixed with a '#' symbol). The folllowing command was carried to remove the trailing substrings: find . -name *.cif | xargs perl -0777 -i -pe "s/_refine_diff_density_rms\s*\'(\d*\.\d*)\s.*/_refine_diff_density_rms \1/" After the modifications 'cif_filter' script was used on all affected CIFs and changed values were inspected manually to avoid introduction of new errors (the trailling string might not be an artifact, but a misplaced e.s.d. value or a measurement unit symbol that implies the need of numerical value conversion). |
7214519.cif |
| 116167 | 2014-06-07 | cif/ Updating files of 7214516, 7214517, 7214518, 7214519, 7214520, 7214521, 7214522 Original log message: Adding full bibliography for 7214516--7214522.cif. |
7214519.cif |
| 110112 | 2014-04-18 | cif/ Adding structures of 7214516, 7214517, 7214518, 7214519, 7214520, 7214521, 7214522 via cif-deposit CGI script. |
7214519.cif |
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Users of the data should acknowledge the original authors of the
structural data.