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Information card for entry 2240440
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| Coordinates | 2240440.cif |
|---|---|
| Structure factors | 2240440.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>cis</i>-Aquachloridobis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')chromium(III) tetrachloridozincate monohydrate |
|---|---|
| Formula | C24 H20 Cl5 Cr N4 O2 Zn |
| Calculated formula | C24 H20 Cl5 Cr N4 O2 Zn |
| SMILES | [Cr]12(Cl)([OH2])([n]3cccc4ccc5ccc[n]1c5c34)[n]1cccc3ccc4ccc[n]2c4c13.[Zn](Cl)(Cl)([Cl-])[Cl-].O |
| Title of publication | Crystal structure of <i>cis</i>-aquachloridobis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')chromium(III) tetrachloridozincate monohydrate from synchrotron data |
| Authors of publication | Moon, Dohyun; Choi, Jong-Ha |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 3 |
| Pages of publication | 288 - 290 |
| a | 8.271 ± 0.0017 Å |
| b | 19.535 ± 0.004 Å |
| c | 16.934 ± 0.003 Å |
| α | 90° |
| β | 100.55 ± 0.03° |
| γ | 90° |
| Cell volume | 2689.8 ± 1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0426 |
| Residual factor for significantly intense reflections | 0.0398 |
| Weighted residual factors for significantly intense reflections | 0.1057 |
| Weighted residual factors for all reflections included in the refinement | 0.1074 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.62998 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181904 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/04 |
2240440.cif 2240440.hkl |
| 181324 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/04. |
2240440.cif 2240440.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240440.cif 2240440.hkl |
| 132171 | 2015-02-21 | cif/ hkl/ Adding structures of 2240440 via cif-deposit CGI script. |
2240440.cif 2240440.hkl |
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Users of the data should acknowledge the original authors of the
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