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Information card for entry 8101693
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| Coordinates | 8101693.cif |
|---|
| Chemical name | chlorobis(1,10-phenanthroline)zinc(II) perchorate monohydrate |
|---|---|
| Formula | C24 H18 Cl2 N4 O5 Zn |
| Calculated formula | C24 H18 Cl2 N4 O5 Zn |
| SMILES | [Zn]12(Cl)([n]3cccc4c3c3[n]1cccc3cc4)[n]1cccc3c1c1[n]2cccc1cc3.Cl(=O)(=O)(=O)[O-].O |
| Title of publication | Crystal structure of chlorobis(1,10-phenanthroline)zinc(II) perchorate monohydrate, [ZnCl(C~12~H~8~N~2~)~2~]ClO~4~ · H~2~O |
| Authors of publication | A. R. Mahjoub; A. Morsali; Z. Talaei; A. Hosseinian |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2005 |
| Journal volume | 220 |
| Journal issue | 1 |
| Pages of publication | 47 - 48 |
| a | 11.3746 ± 0.0015 Å |
| b | 15.383 ± 0.0018 Å |
| c | 13.0256 ± 0.0017 Å |
| α | 90° |
| β | 94.718 ± 0.002° |
| γ | 90° |
| Cell volume | 2271.4 ± 0.5 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0852 |
| Residual factor for significantly intense reflections | 0.0478 |
| Weighted residual factors for significantly intense reflections | 0.0943 |
| Weighted residual factors for all reflections included in the refinement | 0.1031 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
| 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. |
8101693.cif |
| 107925 | 2014-03-23 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8101693.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8101693.cif |
| 12432 | 2011-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 8101693 via cif-deposit CGI script. |
8101693.cif |
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