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Information card for entry 4000677
Preview
| Coordinates | 4000677.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H32 N12 O19.9 Zn5 |
|---|---|
| Calculated formula | C32 H20 N12 O19.896 Zn5 |
| Title of publication | Hydrothermal Synthesis and Structural Characterization of Novel Zn-Triazole-Benzenedicarboxylate Frameworks |
| Authors of publication | Hyunsoo Park; David M. Moureau; John B. Parise |
| Journal of publication | Chem. Mater. |
| Year of publication | 2006 |
| Journal volume | 18 |
| Journal issue | 2 |
| Pages of publication | 525 - 531 |
| a | 10.192 ± 0.002 Å |
| b | 17.764 ± 0.004 Å |
| c | 24.437 ± 0.005 Å |
| α | 90° |
| β | 91.19 ± 0.03° |
| γ | 90° |
| Cell volume | 4423.3 ± 1.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0754 |
| Residual factor for significantly intense reflections | 0.0496 |
| Weighted residual factors for significantly intense reflections | 0.1309 |
| Weighted residual factors for all reflections included in the refinement | 0.1562 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178377 (current) | 2016-03-21 | cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00. |
4000677.cif |
| 120073 | 2014-07-11 | Adding DOIs to range 4/00 structures. | 4000677.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4000677.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
4000677.cif |
| 853 | 2009-11-16 | cif/ Reconstructing spacegroup designators from the symmetry operators were possible. The comands used can be found in the log file reformat-spacegroups-2009.11.14.log committed with the current revision. Only lines that contained spacegroup designators were changed, and all files pass vcif test after the conversion. |
4000677.cif |
| 30 | 2008-01-27 | Adding the reprocessed files from my first COD deposition. Reprocessing with the new cif-tools scripts removed missing tags and added Acta Cryst. Coeditor codes into those files where the corresponding CIF tag was present. Not all reprocessed files were changed. Alsin two entries, cif/8/8000061.cif and cif/8/8000065.cif, were removed manually, both from the CIF file directory and from the cif2cod.txt file, since these two files were detected to be duplicates. |
4000677.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
4000677.cif |
| 13 | 2008-01-13 | Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory. |
4000677.cif |
| 5 | 2008-01-03 | Adding 507 CIF files deposited into COD today, on 2008.01.03. |
4000677.cif |
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Users of the data should acknowledge the original authors of the
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