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Information card for entry 2230897
Preview
| Coordinates | 2230897.cif |
|---|---|
| Structure factors | 2230897.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc]-μ-2,5- bis(allyloxy)terephthalato-κ^2^<i>O</i>^1^:<i>O</i>^4^] |
|---|---|
| Formula | C26 H20 N2 O6 Zn |
| Calculated formula | C26 H20 N2 O6 Zn |
| SMILES | [Zn]1([n]2cccc3c2c2[n]1cccc2cc3)(OC(=O)c1c(OCC=C)cc(c(OCC=C)c1)C(=O)O[Zn]1[n]2cccc3c2c2[n]1cccc2cc3)OC(=O)c1c(OCC=C)cc(C(=O)[O-])c(OCC=C)c1 |
| Title of publication | Poly[[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc]-μ-2,5-bis(allyloxy)terephthalato-κ^2^<i>O</i>^1^:<i>O</i>^4^] |
| Authors of publication | Hu, Ruofei; Hu, Yuanying; Zhu, Qingzeng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 7 |
| Pages of publication | m936 |
| a | 21.428 ± 0.01 Å |
| b | 9.458 ± 0.004 Å |
| c | 12.897 ± 0.006 Å |
| α | 90° |
| β | 118.462 ± 0.005° |
| γ | 90° |
| Cell volume | 2297.9 ± 1.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0324 |
| Residual factor for significantly intense reflections | 0.0293 |
| Weighted residual factors for significantly intense reflections | 0.0758 |
| Weighted residual factors for all reflections included in the refinement | 0.0776 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181230 (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 2/23/08. |
2230897.cif 2230897.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. |
2230897.cif 2230897.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2230897.cif 2230897.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. | 2230897.cif 2230897.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2230897.cif 2230897.hkl |
| 23417 | 2011-08-08 | hkl/ Adding Fobs data for the recently deposited coordinates from IUCr. |
2230897.cif 2230897.hkl |
| 23222 | 2011-08-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2230897 via cif-deposit CGI script. |
2230897.cif |
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