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Information card for entry 4502582
Preview
| Coordinates | 4502582.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C181 H207 Gd26 N26 O152 Zn1.5 |
|---|---|
| Calculated formula | C181 H125 Gd26 N26 O153 Zn1.5 |
| Title of publication | Two 3D Coordination Frameworks Based on Nanosized Huge Ln26(Ln = Dy and Gd) Spherical Clusters |
| Authors of publication | Huang, Lian; Han, Lijie; Feng, Wenjun; Zheng, Lei; Zhang, Zhibin; Xu, Yan; Chen, Qi; Zhu, Dunru; Niu, Shuyun |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2010 |
| Journal volume | 10 |
| Journal issue | 6 |
| Pages of publication | 2548 |
| a | 19.6213 ± 0.0015 Å |
| b | 22.185 ± 0.0017 Å |
| c | 34.654 ± 0.003 Å |
| α | 88.534 ± 0.001° |
| β | 85.652 ± 0.001° |
| γ | 72.979 ± 0.001° |
| Cell volume | 14382 ± 2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0974 |
| Residual factor for significantly intense reflections | 0.0665 |
| Weighted residual factors for significantly intense reflections | 0.1784 |
| Weighted residual factors for all reflections included in the refinement | 0.1942 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4502582.cif |
| 134573 | 2015-04-01 | cod/ (robertas@burundukas) The 'cif_fix_values' script was applied on the CIF files, which had notes in the COD database's table 'validations' generated by the 'cif_validate' validator about misspelling of the enumerable values of the data item '_symmetry_cell_setting'. There was used the option '--fix-only-misspelled'. And there were used 'cif_filter' later in the pipe. Read the log for more details. There were 595 distinct CIF files which had messages from validator. The 'cif_fix_values' script generated 417 messages about corrected misspelled values of enumerators to the log file. Some messages were generated by 'cif_filter' and some changes by the 'cif_filter' were done without messaging to the log file. The 'cif_fix_value' script corrected the enumerators of all data items presented in the file for the replacement of the misspelled values. |
4502582.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4502582.cif |
| 36481 | 2012-03-01 | ../uploads/cif-deposit/cod/cif Adding structures of 4502581, 4502582 via cif-deposit CGI script. |
4502582.cif |
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Users of the data should acknowledge the original authors of the
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