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Information card for entry 8101839
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| Coordinates | 8101839.cif |
|---|
| Chemical name | tetraammoninium bis[(pyridine-2,6-dicarboxylato-O,O',N)cadmate(II)] pentahydrate |
|---|---|
| Formula | C14 H19 Cd N4 O10.5 |
| Calculated formula | C14 H19 Cd N4 O10.5 |
| SMILES | [Cd]1234([n]5c(C(=O)O1)cccc5C(=O)O2)[n]1c(C(=O)O3)cccc1C(=O)O4.[NH4+].[NH4+].O.O.O |
| Title of publication | Crystal structure of tetraammonium bis[(pyridine-2,6-dicarboxylato- O,N,O')cadmate(II)] pentahydrate, (NH~4~)~4~[Cd(C~7~H~3~NO~4~)~2~] ~2~ · 5H~2~O |
| Authors of publication | A.-Y. Fu; D.-Q. Wang |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2005 |
| Journal volume | 220 |
| Journal issue | 3 |
| Pages of publication | 503 - 505 |
| a | 16.44 ± 0.005 Å |
| b | 16.586 ± 0.005 Å |
| c | 15.332 ± 0.005 Å |
| α | 90° |
| β | 115.695 ± 0.005° |
| γ | 90° |
| Cell volume | 3767 ± 2 Å3 |
| Cell temperature | 299 ± 2 K |
| Ambient diffraction temperature | 299 ± 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 | 0.106 |
| Residual factor for significantly intense reflections | 0.0508 |
| Weighted residual factors for significantly intense reflections | 0.1116 |
| Weighted residual factors for all reflections included in the refinement | 0.1386 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176466 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8101839.cif |
| 108108 | 2014-03-27 | cif/8/ (antanas@lokys.ibt.lt) Removing some extra characters introduced while converting CIF's from one encoding into the other. |
8101839.cif |
| 107931 | 2014-03-24 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8101839.cif |
| 80972 | 2013-04-11 | smi/8 Adding SMILES for subdir 8 |
8101839.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8101839.cif |
| 12578 | 2011-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 8101839 via cif-deposit CGI script. |
8101839.cif |
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