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Information card for entry 6000488
Preview
| Coordinates | 6000488.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C3 H13 N2 O8 P2 Zn |
|---|---|
| Calculated formula | C3 H13 N2 O8 P2 Zn |
| Title of publication | Formation of One-, Two-, and Three-Dimensional Open-Framework Zinc Phosphates in the Presence of a Tetramine |
| Authors of publication | Amitava Choudhury; Srinivasan Natarajan; C. N. R. Rao |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2000 |
| Journal volume | 39 |
| Pages of publication | 4295 - 4304 |
| a | 5.2677 ± 0.0005 Å |
| b | 13.3025 ± 0.0013 Å |
| c | 14.7833 ± 0.0014 Å |
| α | 90° |
| β | 96.049 ± 0.001° |
| γ | 90° |
| Cell volume | 1030.2 ± 0.2 Å3 |
| Cell temperature | 571 ± 2 K |
| Ambient diffraction temperature | 571 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0366 |
| Residual factor for significantly intense reflections | 0.029 |
| Weighted residual factors for all reflections | 0.0916 |
| Weighted residual factors for significantly intense reflections | 0.0783 |
| Goodness-of-fit parameter for all reflections | 1.127 |
| Goodness-of-fit parameter for significantly intense reflections | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 208377 (current) | 2018-06-14 | cif/ Updating space group information and adding the symmetry operation list in 116 entries. |
6000488.cif |
| 176292 | 2016-02-09 | cif/6/ (antanas@kurmis) Removing the _[local]_cod_text data item from multiple entries in range 6, since it held the same information as other data items in the entries (bibliography data items, for example). Also, bibliography was updated in several entries. |
6000488.cif |
| 134621 | 2015-04-02 | The 'cif_fix_values' script with an option '--fix-only-weighting-scheme' and 'cif_filter' script were run over CIF files which included an incorrect value of the data item '_refine_ls_weighting_scheme'. Read the log for more details. There were more than 18k CIF files with values to modify. Usually these incorrect values include comment with formulas, but values of this data item must be an enumerator. The script creates new data item '_refine_ls_weighting_details' to store these comments with formulas, and writes the enumerator 'calc' as a value of data item '_refine_ls_weighting_scheme'. There exists some exceptions in the script. |
6000488.cif |
| 130149 | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
6000488.cif |
| 120070 | 2014-07-11 | cif/ (saulius@koala.ibt.lt) Adding DOIs for structures in ranges 5, 6 and 8. |
6000488.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
6000488.cif |
| 18744 | 2011-05-03 | cif/6 Adding data to a couple of CIFs from files downloaded from Inorg. Chem. |
6000488.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. |
6000488.cif |
| 878 | 2009-11-19 | cif/6/ Splitting the corrected 6.cif file, adding the splitted range 6 files: cif_split_primitive -o 6/ < 6.cif |
6000488.cif |
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Users of the data should acknowledge the original authors of the
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