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Information card for entry 2235940
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| Coordinates | 2235940.cif |
|---|---|
| Structure factors | 2235940.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[(1,10-phenanthroline)cobalt]-μ-2,4'-oxydibenzoato] |
|---|---|
| Formula | C26 H16 Co N2 O5 |
| Calculated formula | C26 H16 Co N2 O5 |
| SMILES | [Co]123([O]=C(O1)c1c(Oc4ccc(C(=O)[O-])cc4)cccc1)([n]1cccc4ccc5c([n]2ccc5)c14)[O]=C(O3)c1ccc(Oc2ccccc2C2=[O][Co]3([n]4cccc5ccc6c([n]3ccc6)c45)O2)cc1 |
| Title of publication | <i>catena</i>-Poly[[(1,10-phenanthroline)cobalt]-μ-2,4'-oxydibenzoato] |
| Authors of publication | Guo, Hai-Kang; Fu, Feng; Tang, Long; Hou, Xiang-Yang; Cao, Jia |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 8 |
| Pages of publication | m1078 |
| a | 7.8524 ± 0.0016 Å |
| b | 15.345 ± 0.003 Å |
| c | 18.778 ± 0.004 Å |
| α | 90° |
| β | 99.72 ± 0.03° |
| γ | 90° |
| Cell volume | 2230.2 ± 0.8 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 | 0.1098 |
| Residual factor for significantly intense reflections | 0.0727 |
| Weighted residual factors for significantly intense reflections | 0.1248 |
| Weighted residual factors for all reflections included in the refinement | 0.1405 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.153 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181281 (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 2/23/59. |
2235940.cif 2235940.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. |
2235940.cif 2235940.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2235940.cif 2235940.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. | 2235940.cif 2235940.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2235940.cif 2235940.hkl |
| 66022 | 2012-09-06 | cif/ Adding structures of 2235940 via cif-deposit CGI script. |
2235940.cif |
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Users of the data should acknowledge the original authors of the
structural data.