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Information card for entry 7205044
Preview
| Coordinates | 7205044.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H14 Nd O7 |
|---|---|
| Calculated formula | C21 H14 Nd O7 |
| Title of publication | Observation of tancoite-like chains in a one-dimensional metal?organic polymer |
| Authors of publication | Thirumurugan, A.; Pati, Swapan K.; Green, Mark A.; Natarajan, Srinivasan |
| Journal of publication | Journal of Materials Chemistry |
| Year of publication | 2003 |
| Journal volume | 13 |
| Journal issue | 12 |
| Pages of publication | 2937 |
| a | 20.9868 ± 0.0006 Å |
| b | 21.5521 ± 0.0007 Å |
| c | 8.3162 ± 0.0003 Å |
| α | 90° |
| β | 103.95 ± 0.001° |
| γ | 90° |
| Cell volume | 3650.6 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0284 |
| Residual factor for significantly intense reflections | 0.0216 |
| Weighted residual factors for significantly intense reflections | 0.0524 |
| Weighted residual factors for all reflections included in the refinement | 0.0546 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.969 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180381 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/50. |
7205044.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. |
7205044.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7205044.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7205044.cif |
| 5312 | 2011-01-03 | cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version. |
7205044.cif |
| 4080 | 2010-12-16 | ../uploads/cif-deposit/cod/cif Adding structures of 7205044 via cif-deposit CGI script. |
7205044.cif |
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Users of the data should acknowledge the original authors of the
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