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Information card for entry 2239337
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| Coordinates | 2239337.cif |
|---|---|
| Structure factors | 2239337.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis[μ-1,3-bis(1<i>H</i>-imidazol-1-yl)propane-κ^2^<i>N</i>^3^:<i>N</i>^3'^]bis(dichloridozinc) dihydrate |
|---|---|
| Formula | C18 H28 Cl4 N8 O2 Zn2 |
| Calculated formula | C18 H28 Cl4 N8 O2 Zn2 |
| SMILES | c1cn2c[n]1[Zn](Cl)(Cl)[n]1cn(CCCn3c[n](cc3)[Zn]([n]3cn(CCC2)cc3)(Cl)Cl)cc1.O.O |
| Title of publication | Bis[μ-1,3-bis(1<i>H</i>-imidazol-1-yl)propane-κ^2^<i>N</i>^3^:<i>N</i>^3'^]bis(dichloridozinc) dihydrate |
| Authors of publication | Wang, Xiao-Juan; Feng, Yun-Long |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 5 |
| Pages of publication | m184 |
| a | 10.1378 ± 0.0004 Å |
| b | 9.7173 ± 0.0004 Å |
| c | 13.8801 ± 0.0006 Å |
| α | 90° |
| β | 93.704 ± 0.002° |
| γ | 90° |
| Cell volume | 1364.5 ± 0.1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 0.0296 |
| Weighted residual factors for significantly intense reflections | 0.079 |
| Weighted residual factors for all reflections included in the refinement | 0.0871 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181893 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/93. |
2239337.cif 2239337.hkl |
| 181312 | 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 2/23/93. |
2239337.cif 2239337.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. |
2239337.cif 2239337.hkl |
| 109620 | 2014-04-17 | cif/ hkl/ Adding structures of 2239337 via cif-deposit CGI script. |
2239337.cif 2239337.hkl |
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