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Information card for entry 2018811
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| Coordinates | 2018811.cif |
|---|---|
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Common name | Zoledronic acid |
|---|---|
| Chemical name | 1-(2-Hydroxy-2-phosphonato-2-phosphonoethyl)-1<i>H</i>-imidazol-3-ium |
| Formula | C5 H10 N2 O7 P2 |
| Calculated formula | C5 H10 N2 O7 P2 |
| SMILES | P(=O)(O)(O)C(P(=O)([O-])O)(O)Cn1c[nH+]cc1 |
| Title of publication | Zoledronic acid: monoclinic and triclinic polymorphs from powder diffraction data |
| Authors of publication | Chernyshev, Vladimir V.; Shkavrov, Sergey V.; Paseshnichenko, Ksenia A.; Puryaeva, Tamara P.; Velikodny, Yurii A. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 3 |
| Pages of publication | 263 - 266 |
| a | 8.4217 ± 0.0013 Å |
| b | 8.6039 ± 0.0011 Å |
| c | 8.1818 ± 0.0012 Å |
| α | 92.778 ± 0.016° |
| β | 112.415 ± 0.017° |
| γ | 116.072 ± 0.019° |
| Cell volume | 475.33 ± 0.18 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Goodness-of-fit parameter for all reflections | 2.133 |
| Method of determination | powder diffraction |
| Diffraction radiation wavelength | 1.5406 Å |
| Diffraction radiation type | CuKα~1~ |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201957 (current) | 2017-10-13 | cif/2/ Marking COD entries in range 2/01 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2018811.cif |
| 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. |
2018811.cif |
| 78728 | 2013-04-02 | cif/ Adding structures of 2018810, 2018811 via cif-deposit CGI script. |
2018811.cif |
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Users of the data should acknowledge the original authors of the
structural data.