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Information card for entry 7005950
Preview
| Coordinates | 7005950.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | ((Zn2(OA)(bipy)(H2O))-0.5(bipy)) |
|---|---|
| Formula | C31 H20 N3 O10 Zn2 |
| Calculated formula | C31 H20 N3 O10 Zn2 |
| Title of publication | Syntheses, structures, and optical properties of novel zinc(ii) complexes with multicarboxylate and N-donor ligands. |
| Authors of publication | Chu, Qian; Liu, Guang-Xiang; Huang, Yong-Qing; Wang, Xiao-Feng; Sun, Wei-Yin |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2007 |
| Journal issue | 38 |
| Pages of publication | 4302 - 4311 |
| a | 10.9129 ± 0.0011 Å |
| b | 15.0557 ± 0.0015 Å |
| c | 16.4468 ± 0.0017 Å |
| α | 90° |
| β | 91.8 ± 0.002° |
| γ | 90° |
| Cell volume | 2700.9 ± 0.5 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/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0385 |
| Residual factor for significantly intense reflections | 0.0334 |
| Weighted residual factors for significantly intense reflections | 0.0852 |
| Weighted residual factors for all reflections included in the refinement | 0.0874 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179763 (current) | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/59. |
7005950.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7005950.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7005950.cif |
| 1186 | 2010-06-03 | Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing. | 7005950.cif |
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Users of the data should acknowledge the original authors of the
structural data.