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Information card for entry 2105683
Preview
| Coordinates | 2105683.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | Glycine Silver Nitrate |
|---|---|
| Chemical name | Glycine Silver Nitrate |
| Formula | C4 H10 Ag2 N4 O10 |
| Calculated formula | C4 H10 Ag2 N4 O10 |
| SMILES | [Ag]123[Ag]([O]=C([O]1[Ag]14[Ag](OC(=[O]1)C[NH3+])[O]=C(C[NH3+])[O]34)C[NH3+])OC(C[NH3+])=[O]2.N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-] |
| Title of publication | Ferroelectric glycine silver nitrate: a single-crystal neutron diffraction study |
| Authors of publication | Choudhury, R. R.; Chitra, R.; Aliouane, N.; Schefer, J. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 6 |
| Pages of publication | 595 - 602 |
| a | 5.451 ± 0.002 Å |
| b | 19.493 ± 0.001 Å |
| c | 5.441 ± 0.002 Å |
| α | 90° |
| β | 100.12 ± 0.05° |
| γ | 90° |
| Cell volume | 569.1 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0591 |
| Residual factor for significantly intense reflections | 0.059 |
| Weighted residual factors for significantly intense reflections | 0.1566 |
| Weighted residual factors for all reflections included in the refinement | 0.1567 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.198 |
| Diffraction radiation probe | neutron |
| Diffraction radiation wavelength | 1.1761 Å |
| Diffraction radiation type | neutron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176768 (current) | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/10. |
2105683.cif |
| 106285 | 2014-03-15 | cod/ (saulius@kolibris) Adding the '_diffrn_radiation_probe neutron' data item to those COD CIFs that declared neuron radiation in their _diffrn_radiation_type data field, and did not have a _diffrn_radiation_probe item yet: codsql 'select file from data where radiation is null and radType like "%neutron%"' -NB \ | codid2file \ | xargs -i sh -c 'test -f {} && ( set -x; echo _diffrn_radiation_probe neutron >> {} )' Two files that had no newlines at the end were fixed manually. |
2105683.cif |
| 92023 | 2014-01-12 | cif/ Adding structures of 2105683, 2105684 via cif-deposit CGI script. |
2105683.cif |
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Users of the data should acknowledge the original authors of the
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