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Information card for entry 4500108
Preview
| Coordinates | 4500108.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | catena-{L-histidinium-κO-(μ~3~hydrogenphosphato)(μ~4~phosphato)- dizinc(II)} hydrate |
|---|---|
| Formula | C6 H13 N3 O11 P2 Zn2 |
| Calculated formula | C6 H13 N3 O11 P2 Zn2 |
| Title of publication | A New Inorganic−Organic Hybrid Zinc Phosphate Prepared withl-Histidine with an Unusual Stability in Water |
| Authors of publication | Mekhatria, Djilali; Rigolet, Séverinne; Janiak, Christoph; Simon-Masseron, Angélique; Hasnaoui, Mohammed Abdelkrim; Bengueddach, Abdelkader |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2011 |
| Journal volume | 11 |
| Journal issue | 2 |
| Pages of publication | 396 |
| a | 8.6109 ± 0.0006 Å |
| b | 9.0319 ± 0.0006 Å |
| c | 9.9523 ± 0.0007 Å |
| α | 84.481 ± 0.002° |
| β | 83.279 ± 0.002° |
| γ | 74.652 ± 0.002° |
| Cell volume | 739.56 ± 0.09 Å3 |
| Cell temperature | 203 ± 2 K |
| Ambient diffraction temperature | 203 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0364 |
| Residual factor for significantly intense reflections | 0.033 |
| Weighted residual factors for significantly intense reflections | 0.0665 |
| Weighted residual factors for all reflections included in the refinement | 0.0679 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179532 (current) | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/01. |
4500108.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4500108.cif |
| 34398 | 2012-02-25 | cif/4/50/ Moving all 45001??.cif files to subdirectory 01/ where they belong. |
4500108.cif |
| 34346 | 2012-02-25 | ../uploads/cif-deposit/cod/cif Adding structures of 4500108 via cif-deposit CGI script. |
4500108.cif |
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