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Information card for entry 2228072
Preview
| Coordinates | 2228072.cif |
|---|---|
| Structure factors | 2228072.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis[2-(4-benzoyloxy-2-hydroxybenzoyl)-1-phenylethenolato]diethanolzinc(II) |
|---|---|
| Formula | C48 H42 O12 Zn |
| Calculated formula | C48 H42 O12 Zn |
| SMILES | c1ccc(cc1)C(=O)Oc1ccc(c(O)c1)C1=CC(=[O][Zn]2(O1)(OC(=CC(=[O]2)c1ccccc1)c1ccc(OC(=O)c2ccccc2)cc1O)([OH]CC)[OH]CC)c1ccccc1 |
| Title of publication | Bis[2-(4-benzoyloxy-2-hydroxybenzoyl)-1-phenylethenolato]diethanolzinc(II) |
| Authors of publication | Dong, Kai; Sun, Juan; Ruan, Ban-Feng; Gong, Hai-Bin |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 10 |
| Pages of publication | m1290 |
| a | 7.17 ± 0.005 Å |
| b | 9.399 ± 0.005 Å |
| c | 16.457 ± 0.005 Å |
| α | 106.59 ± 0.005° |
| β | 95.596 ± 0.005° |
| γ | 90.989 ± 0.005° |
| Cell volume | 1056.6 ± 1 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.0823 |
| Residual factor for significantly intense reflections | 0.0501 |
| Weighted residual factors for significantly intense reflections | 0.1197 |
| Weighted residual factors for all reflections included in the refinement | 0.1424 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181201 (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 2/22/80. |
2228072.cif 2228072.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. |
2228072.cif 2228072.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228072.cif 2228072.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. | 2228072.cif 2228072.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228072.cif 2228072.hkl |
| 5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2228072.cif 2228072.hkl |
| 5109 | 2010-12-18 | ../uploads/cif-deposit/cod/cif Adding structures of 2228072 via cif-deposit CGI script. |
2228072.cif |
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Users of the data should acknowledge the original authors of the
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