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Information card for entry 2231169
Preview
| Coordinates | 2231169.cif |
|---|---|
| Structure factors | 2231169.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[(1,10-phenanthroline)zinc]-μ-2,2'-oxydibenzoato] |
|---|---|
| Formula | C26 H16 N2 O5 Zn |
| Calculated formula | C26 H16 N2 O5 Zn |
| SMILES | [Zn]123([n]4c5c6[n]2cccc6ccc5ccc4)(OC(=[O]1)c1cc(Oc2c(cccc2)C(=O)[O-])ccc1)[O]=C(O3)c1ccccc1Oc1cccc(C2=[O][Zn]3([n]4c5c6[n]3cccc6ccc5ccc4)O2)c1 |
| Title of publication | <i>catena</i>-Poly[[(1,10-phenanthroline)zinc]-μ-2,2'-oxydibenzoato] |
| Authors of publication | Cai, Xue |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 8 |
| Pages of publication | m1157 |
| a | 7.7033 ± 0.0018 Å |
| b | 17.403 ± 0.004 Å |
| c | 16.23 ± 0.004 Å |
| α | 90° |
| β | 90.184 ± 0.004° |
| γ | 90° |
| Cell volume | 2175.8 ± 0.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0917 |
| Residual factor for significantly intense reflections | 0.044 |
| Weighted residual factors for significantly intense reflections | 0.0978 |
| Weighted residual factors for all reflections included in the refinement | 0.1121 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.935 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181233 (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 2/23/11. |
2231169.cif 2231169.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. |
2231169.cif 2231169.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2231169.cif 2231169.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. | 2231169.cif 2231169.hkl |
| 27511 | 2011-10-06 | hkl/ Committing assigned Fobs data for the recently deposited coordinates from IUCr journals. |
2231169.cif 2231169.hkl |
| 27077 | 2011-09-29 | ../uploads/cif-deposit/cod/cif Adding structures of 2231169 via cif-deposit CGI script. |
2231169.cif |
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Users of the data should acknowledge the original authors of the
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