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Information card for entry 2228692
Preview
| Coordinates | 2228692.cif |
|---|---|
| Structure factors | 2228692.hkl |
| Original IUCr paper | HTML |
| Chemical name | Diaquabis(2-oxo-2<i>H</i>-chromene-3-carboxylato)zinc(II) |
|---|---|
| Formula | C20 H14 O10 Zn |
| Calculated formula | C20 H14 O10 Zn |
| SMILES | c12OC3C(C(=O)O[Zn]4([O]=3)([OH2])([O]=C3Oc5ccccc5C=C3C(=O)O4)[OH2])=Cc2cccc1 |
| Title of publication | Diaquabis(2-oxo-2<i>H</i>-chromene-3-carboxylato)zinc(II) |
| Authors of publication | Cui, Yue; Gao, Qian; Wang, Huan-Huan; Wang, Lin; Xie, Ya-Bo |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 1 |
| Pages of publication | m69 |
| a | 6.6113 ± 0.0013 Å |
| b | 6.8404 ± 0.0014 Å |
| c | 10.392 ± 0.002 Å |
| α | 85.64 ± 0.03° |
| β | 89.47 ± 0.03° |
| γ | 66.09 ± 0.03° |
| Cell volume | 428.27 ± 0.18 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0221 |
| Residual factor for significantly intense reflections | 0.0219 |
| Weighted residual factors for significantly intense reflections | 0.0605 |
| Weighted residual factors for all reflections included in the refinement | 0.0607 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.12 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181207 (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 2/22/86. |
2228692.cif 2228692.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. |
2228692.cif 2228692.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228692.cif 2228692.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. | 2228692.cif 2228692.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228692.cif 2228692.hkl |
| 11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228692.cif 2228692.hkl |
| 9824 | 2011-02-10 | ../uploads/cif-deposit/cod/cif Adding structures of 2228692 via cif-deposit CGI script. |
2228692.cif |
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Users of the data should acknowledge the original authors of the
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