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Information card for entry 2234499
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| Coordinates | 2234499.cif |
|---|---|
| Structure factors | 2234499.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[(diaquastrontium)-bis{μ-5-[4-(1<i>H</i>-imidazol- 1-yl)phenyl]tetrazolido}] |
|---|---|
| Formula | C20 H18 N12 O2 Sr |
| Calculated formula | C20 H18 N12 O2 Sr |
| SMILES | [Sr]1([OH2])([OH2])n2nnnc2c2ccc(cc2)n2c[n](cc2)[Sr]([OH2])([OH2])(n2nnnc2c2ccc(cc2)n2c[n]1cc2)(n1nnnc1c1ccc(cc1)n1cncc1)[n]1ccn(c1)c1ccc(cc1)c1nnn[n-]1 |
| Title of publication | <i>catena</i>-Poly[(diaquastrontium)-bis{μ-5-[4-(1<i>H</i>-imidazol-1-yl)phenyl]tetrazolido}] |
| Authors of publication | Tong, Shao-Wei; Li, Shi-Jie; Song, Wen-Dong; Miao, Dong-Liang; Deng, Qi |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 4 |
| Pages of publication | m523 - m524 |
| a | 7.621 ± 0.0006 Å |
| b | 8.0589 ± 0.0007 Å |
| c | 9.1641 ± 0.0009 Å |
| α | 102.783 ± 0.001° |
| β | 97.544 ± 0.001° |
| γ | 106.036 ± 0.002° |
| Cell volume | 516.29 ± 0.08 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 |
| Residual factor for all reflections | 0.0379 |
| Residual factor for significantly intense reflections | 0.0361 |
| Weighted residual factors for significantly intense reflections | 0.1156 |
| Weighted residual factors for all reflections included in the refinement | 0.1184 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.167 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181266 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/44. |
2234499.cif 2234499.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2234499.cif 2234499.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2234499.cif 2234499.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2234499.cif 2234499.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2234499.cif 2234499.hkl |
| 55777 | 2012-05-05 | cif/ Adding structures of 2234499 via cif-deposit CGI script. |
2234499.cif |
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Users of the data should acknowledge the original authors of the
structural data.