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Information card for entry 2239131
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| Coordinates | 2239131.cif |
|---|---|
| Structure factors | 2239131.hkl |
| Original IUCr paper | HTML |
| Common name | 61-20Co1D |
|---|---|
| Chemical name | <i>catena</i>-Poly[{μ~3~-3,3'-[(1,7-dioxa-4,10-diazacyclododecane-4,10-diyl)bis(methylene)]dibenzoato}cobalt(II)] |
| Formula | C24 H28 Co N2 O6 |
| Calculated formula | C24 H28 Co N2 O6 |
| SMILES | [Co]12345[O]6CC[N]1(Cc1cc(C(=O)O[Co]789%10[O]%11CC[N]7(Cc7cc(C(=O)O5)ccc7)CC[O]8CC[N]9(Cc5cc(C(=O)O[Co]789[O]%12CC[N]7(Cc7cc(C(=O)O%10)ccc7)CC[O]8CC[N]9(Cc7cc(C(=O)[O-])ccc7)CC%12)ccc5)CC%11)ccc1)CC[O]2CC[N]3(Cc1cc(C(=O)O[Co]235[O]7CC[N]2(Cc2cc(C(=O)O4)ccc2)CC[O]3CC[N]5(Cc2cc(C(=O)[O-])ccc2)CC7)ccc1)CC6 |
| Title of publication | <i>catena</i>-Poly[{μ~3~-3,3'-[(1,7-dioxa-4,10-diazacyclododecane-4,10-diyl)bis(methylene)]dibenzoato}cobalt(II)] |
| Authors of publication | Liao, Liang; Ingram, Conrad W.; Bacsa, John; Parker, Cass |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 1 |
| Pages of publication | m24 |
| a | 20.626 ± 0.002 Å |
| b | 8.9778 ± 0.001 Å |
| c | 13.9263 ± 0.0016 Å |
| α | 90° |
| β | 127.051 ± 0.001° |
| γ | 90° |
| Cell volume | 2058.2 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0667 |
| Residual factor for significantly intense reflections | 0.0488 |
| Weighted residual factors for significantly intense reflections | 0.1159 |
| Weighted residual factors for all reflections included in the refinement | 0.1254 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181891 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/91. |
2239131.cif 2239131.hkl |
| 181310 | 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 2/23/91. |
2239131.cif 2239131.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. |
2239131.cif 2239131.hkl |
| 105020 | 2014-03-11 | cif/ hkl/ Adding structures of 2239131 via cif-deposit CGI script. |
2239131.cif 2239131.hkl |
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