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Information card for entry 2017863
Preview
| Coordinates | 2017863.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Poly[[(μ~3~-benzotriazole-5-carboxylato- κ^4^<i>N</i>^1^:<i>N</i>^3^:<i>O</i>,<i>O</i>')(1,4,8,9-tetraazatriphenylene- κ^2^<i>N</i>^8^,<i>N</i>^9^)zinc(II)] 0.25-hydrate] |
|---|---|
| Formula | C21 H11.5 N7 O2.25 Zn |
| Calculated formula | C21 H11 N7 O2.25 Zn |
| Title of publication | A two-dimensional Zn^II^ coordination polymer constructed by benzotriazole-5-carboxylate and 1,4,8,9-tetraazatriphenylene |
| Authors of publication | Lu, Rui-Yun; Luan, Guo-You; Han, Zheng-Bo |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 10 |
| Pages of publication | m283 - m285 |
| a | 17.3649 ± 0.0009 Å |
| b | 8.6087 ± 0.0004 Å |
| c | 23.8669 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3567.8 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0355 |
| Residual factor for significantly intense reflections | 0.0272 |
| Weighted residual factors for significantly intense reflections | 0.0682 |
| Weighted residual factors for all reflections included in the refinement | 0.0706 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.968 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176435 (current) | 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. |
2017863.cif |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2017863.cif |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2017863.cif |
| 4171 | 2010-12-16 | ../uploads/cif-deposit/cod/cif Adding structures of 2017863 via cif-deposit CGI script. |
2017863.cif |
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