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Information card for entry 8103214
Preview
| Coordinates | 8103214.cif |
|---|
| Chemical name | bis[3-(6-(pyridin-3-yl)-4-p-tolylpyridin-2-yl) pyridine]-[5-hydroxybenzene-1,3-diato acid] zinc(II),Zn(C22H17N3)(C8H6O5)^.^2H2O |
|---|---|
| Formula | C30 H25 N3 O7 Zn |
| Calculated formula | C30 H24 N3 O7 Zn |
| Title of publication | Crystal structure of bis{[4'-(4-tolyl)-2,2':6'2''-terpyridine-?3N,N',N']-[?-5-hydroxybenzene-1,3-dicarboxylate-?2O,O']zinc(II)} tetrahydrate, [Zn(C22H17N3)(C8H6O5)]2 • 4H2O |
| Authors of publication | Ting-Ting Zhang; Jian-Fang Ma |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2011 |
| Journal volume | 226 |
| Journal issue | 4 |
| Pages of publication | 581 |
| a | 13.09 ± 0.0009 Å |
| b | 14.863 ± 0.0007 Å |
| c | 14.061 Å |
| α | 90 ± 0.005° |
| β | 97.92° |
| γ | 90° |
| Cell volume | 2709.6 ± 0.2 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 | 0.1352 |
| Residual factor for significantly intense reflections | 0.0671 |
| Weighted residual factors for significantly intense reflections | 0.1534 |
| Weighted residual factors for all reflections included in the refinement | 0.1902 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176728 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8103214.cif |
| 175364 | 2016-02-01 | cod/cif/8/10/32/ Marking O1W and O2W as having two attached hydrogen atoms thus obtaining closer values calculated formula and _exptl_crystal_F_000. |
8103214.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8103214.cif |
| 32556 | 2012-02-09 | ../uploads/cif-deposit/cod/cif Adding structures of 8103214 via cif-deposit CGI script. |
8103214.cif |
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