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Information card for entry 2240505
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| Coordinates | 2240505.cif |
|---|---|
| Structure factors | 2240505.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[aquabis(4-formylbenzoato)-κ^2^<i>O</i>^1^,<i>O</i>^1'^;κ<i>O</i>^1^-zinc]-μ-pyrazine-κ^2^<i>N</i>:<i>N</i>'] |
|---|---|
| Formula | C20 H16 N2 O7 Zn |
| Calculated formula | C20 H16 N2 O7 Zn |
| Title of publication | Crystal structure of <i>catena</i>-poly[[aquabis(4-formylbenzoato)-κ^2^<i>O</i>^1^,<i>O</i>^1'^;κ<i>O</i>^1^-zinc]-μ-pyrazine-κ^2^<i>N</i>:<i>N</i>'] |
| Authors of publication | Aşkın, Gülçin Şefiye; Çelik, Fatih; Dilek, Nefise; Necefoğlu, Hacali; Hökelek, Tuncer |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 4 |
| Pages of publication | 402 - 405 |
| a | 22.4721 ± 0.0007 Å |
| b | 7.1729 ± 0.0002 Å |
| c | 23.6377 ± 0.0008 Å |
| α | 90° |
| β | 91.764 ± 0.002° |
| γ | 90° |
| Cell volume | 3808.4 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0513 |
| Residual factor for significantly intense reflections | 0.0411 |
| Weighted residual factors for significantly intense reflections | 0.0977 |
| Weighted residual factors for all reflections included in the refinement | 0.1018 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.101 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181905 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/05 |
2240505.cif 2240505.hkl |
| 181325 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/05. |
2240505.cif 2240505.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240505.cif 2240505.hkl |
| 134239 | 2015-03-22 | cif/ hkl/ Adding structures of 2240505 via cif-deposit CGI script. |
2240505.cif 2240505.hkl |
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Users of the data should acknowledge the original authors of the
structural data.