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Information card for entry 2239057
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| Coordinates | 2239057.cif |
|---|---|
| Structure factors | 2239057.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(1,10-phenanthrolin-1-ium) tetrachloridozincate monohydrate |
|---|---|
| Formula | C24 H20 Cl4 N4 O Zn |
| Calculated formula | C24 H20 Cl4 N4 O Zn |
| SMILES | [nH+]1cccc2ccc3cccnc3c12.[nH+]1cccc2ccc3cccnc3c12.[Zn](Cl)(Cl)([Cl-])[Cl-].O |
| Title of publication | Bis(1,10-phenanthrolin-1-ium) tetrachloridozincate monohydrate |
| Authors of publication | Govindan, E.; Thirumurugan, Subramani; Ganeshraja, Ayyakannu Sundaram; Anbalagan, Krishnamoorthy; SubbiahPandi, A. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 2 |
| Pages of publication | m53 |
| a | 14.6046 ± 0.0005 Å |
| b | 10.8008 ± 0.0003 Å |
| c | 16.3151 ± 0.0006 Å |
| α | 90° |
| β | 107.39 ± 0.004° |
| γ | 90° |
| Cell volume | 2455.93 ± 0.15 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0456 |
| Residual factor for significantly intense reflections | 0.0305 |
| Weighted residual factors for significantly intense reflections | 0.0624 |
| Weighted residual factors for all reflections included in the refinement | 0.0679 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181890 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/90. |
2239057.cif 2239057.hkl |
| 181309 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/90. |
2239057.cif 2239057.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2239057.cif 2239057.hkl |
| 104918 | 2014-03-11 | cif/ hkl/ Adding structures of 2239057 via cif-deposit CGI script. |
2239057.cif 2239057.hkl |
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