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Information card for entry 2228585
Preview
| Coordinates | 2228585.cif |
|---|---|
| Structure factors | 2228585.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[(2,2'-bipyridine)nickel(II)]-μ-2,4'-oxydibenzoato] |
|---|---|
| Formula | C24 H16 N2 Ni O5 |
| Calculated formula | C24 H16 N2 Ni O5 |
| SMILES | [Ni]123([O]=C(O1)c1ccc(Oc4c(C(=O)[O-])cccc4)cc1)([n]1c(cccc1)c1cccc[n]21)[O]=C(O3)c1ccccc1Oc1ccc(C2=[O][Ni]3(O2)[n]2c(cccc2)c2cccc[n]32)cc1 |
| Title of publication | <i>catena</i>-Poly[[(2,2'-bipyridine)nickel(II)]-μ-2,4'-oxydibenzoato] |
| Authors of publication | Xu, Jia-Kun; Sun, Xiao-Chun; Guo, Feng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 12 |
| Pages of publication | m1574 |
| a | 8.061 ± 0.001 Å |
| b | 15.039 ± 0.002 Å |
| c | 17.847 ± 0.005 Å |
| α | 90° |
| β | 99.464 ± 0.003° |
| γ | 90° |
| Cell volume | 2134.1 ± 0.7 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0576 |
| Residual factor for significantly intense reflections | 0.0343 |
| Weighted residual factors for significantly intense reflections | 0.0849 |
| Weighted residual factors for all reflections included in the refinement | 0.0944 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181206 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/85. |
2228585.cif 2228585.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2228585.cif 2228585.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228585.cif 2228585.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. | 2228585.cif 2228585.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228585.cif 2228585.hkl |
| 11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228585.cif 2228585.hkl |
| 5802 | 2011-01-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2228582, 2228583, 2228584, 2228585, 2228586, 2228587, 2228588, 2228589, 2228590, 2228591 via cif-deposit CGI script. |
2228585.cif |
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Users of the data should acknowledge the original authors of the
structural data.