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Information card for entry 2234499
Preview
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}] |
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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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2234499.html
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