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Information card for entry 2019439
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| Coordinates | 2019439.cif |
|---|---|
| Structure factors | 2019439.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Common name | bis(adeninium) zoldronate tetrahydrate |
|---|---|
| Chemical name | Bis(6-amino-7<i>H</i>-purin-1-ium) hydrogen [1-hydroxy-2-(1<i>H</i>-imidazol-3-ium-1-yl)-1-phosphonatoethyl]phosphonate tetrahydrate |
| Formula | C15 H28 N12 O11 P2 |
| Calculated formula | C15 H28 N12 O11 P2 |
| Title of publication | Tetra- and hexahydrates of bis(adeninium) zoledronate |
| Authors of publication | Sridhar, Balasubramanian; Ravikumar, Krishnan; Varghese, Babu |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 1 |
| Pages of publication | 67 - 74 |
| a | 7.2128 ± 0.0007 Å |
| b | 17.7448 ± 0.0017 Å |
| c | 19.3945 ± 0.0018 Å |
| α | 90° |
| β | 93.999 ± 0.002° |
| γ | 90° |
| Cell volume | 2476.3 ± 0.4 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 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 | 0.0653 |
| Residual factor for significantly intense reflections | 0.0598 |
| Weighted residual factors for significantly intense reflections | 0.1359 |
| Weighted residual factors for all reflections included in the refinement | 0.1393 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.153 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301798 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/01 Each referenced PubChem compound corresponds to the full crystal structure. |
2019439.cif 2019439.hkl |
| 181864 | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/94. |
2019439.cif 2019439.hkl |
| 180862 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/94. |
2019439.cif 2019439.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019439.cif 2019439.hkl |
| 107923 | 2014-03-23 | cif/ hkl/ Adding structures of 2019439, 2019440 via cif-deposit CGI script. |
2019439.cif 2019439.hkl |
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Users of the data should acknowledge the original authors of the
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