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Information card for entry 2019495
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| Coordinates | 2019495.cif |
|---|---|
| Structure factors | 2019495.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dichlorido[3-methyl-6-[6-(6-methyl-2,3-dihydro-1,2,4,5-tetrazin-3-yl-\ κ<i>N</i>^4^)pyridin-2-yl-κ<i>N</i>]-1,4-dihydro-1,2,4,5-tetrazin-1-\ yl-κ<i>N</i>^1^]oxidovanadium(IV) |
|---|---|
| Formula | C16 H17.5 Cl2 N11.5 O V |
| Calculated formula | C16 H17.5 Cl2 N11.5 O V |
| Title of publication | A tale of hydrogen abstraction, initially detected <i>via</i> X-ray diffraction |
| Authors of publication | Hui, Alice K.; Chen, Chun-Hsing; Terwilliger, Adam M.; Lord, Richard L.; Caulton, Kenneth G. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 3 |
| Pages of publication | 250 - 255 |
| a | 8.1651 ± 0.0005 Å |
| b | 23.7109 ± 0.0014 Å |
| c | 11.8159 ± 0.0007 Å |
| α | 90° |
| β | 94.801 ± 0.001° |
| γ | 90° |
| Cell volume | 2279.6 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0484 |
| Residual factor for significantly intense reflections | 0.041 |
| Weighted residual factors for significantly intense reflections | 0.1098 |
| Weighted residual factors for all reflections included in the refinement | 0.1135 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 0.41328 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181864 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/94. |
2019495.cif 2019495.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. |
2019495.cif 2019495.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2019495.cif 2019495.hkl |
| 110645 | 2014-04-19 | cif/ hkl/ Adding structures of 2019495 via cif-deposit CGI script. |
2019495.cif 2019495.hkl |
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