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Information card for entry 2019097
Preview
| Coordinates | 2019097.cif |
|---|---|
| Structure factors | 2019097.hkl |
| Original IUCr paper | HTML |
| Chemical name | Diaquabis(quinolin-8-olato-κ^2^<i>N</i>,<i>O</i>)zinc(II) |
|---|---|
| Formula | C18 H16 N2 O4 Zn |
| Calculated formula | C18 H16 N2 O4 Zn |
| SMILES | c1ccc2cccc3c2[n]1[Zn]1([n]2cccc4cccc(c24)O1)(O3)([OH2])[OH2] |
| Title of publication | Psuedosymmetry and pseudomerodry or nonmerohedral twinning for the known structure of diaquabis(quinolin-8-olato-κ^2^<i>N</i>,<i>O</i>)zinc(II) |
| Authors of publication | Varelas, Georgios; Salifoglou, Athanasios; Psycharis, Vassilis |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 8 |
| Pages of publication | 868 - 871 |
| a | 11.1132 ± 0.0004 Å |
| b | 5.4109 ± 0.0002 Å |
| c | 13.1888 ± 0.0005 Å |
| α | 90° |
| β | 106.37 ± 0.002° |
| γ | 90° |
| Cell volume | 760.92 ± 0.05 Å3 |
| Cell temperature | 160 ± 2 K |
| Ambient diffraction temperature | 160 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for all reflections | 0.0392 |
| Residual factor for significantly intense reflections | 0.0338 |
| Weighted residual factors for significantly intense reflections | 0.0885 |
| Weighted residual factors for all reflections included in the refinement | 0.0912 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.147 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180859 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/90. |
2019097.cif 2019097.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019097.cif 2019097.hkl |
| 89416 | 2013-10-25 | cif/ (saulius@koala.ibt.lt) Adding links pointing to FOBS data to the recently deposited structures from IUCr. |
2019097.cif 2019097.hkl |
| 89414 | 2013-10-24 | cod/ (saulius@koala.ibt.lt) Adding FOBS data for the recently deposited IUCr structures. |
2019097.cif 2019097.hkl |
| 88284 | 2013-09-04 | cif/ Adding structures of 2019097 via cif-deposit CGI script. |
2019097.cif |
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Users of the data should acknowledge the original authors of the
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