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Information card for entry 2235375
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| Coordinates | 2235375.cif |
|---|---|
| Structure factors | 2235375.hkl |
| Original IUCr paper | HTML |
| Chemical name | [<i>N</i>,<i>N</i>'-Bis(2,6-dichlorobenzylidene)propane-1,3- diamine-κ^2^<i>N</i>,<i>N</i>']dibromidozinc |
|---|---|
| Formula | C17 H14 Br2 Cl4 N2 Zn |
| Calculated formula | C17 H14 Br2 Cl4 N2 Zn |
| SMILES | [Zn]1(Br)(Br)[N](CCC[N]1=Cc1c(Cl)cccc1Cl)=Cc1c(Cl)cccc1Cl |
| Title of publication | [<i>N</i>,<i>N</i>'-Bis(2,6-dichlorobenzylidene)propane-1,3-diamine-κ^2^<i>N</i>,<i>N</i>']dibromidozinc |
| Authors of publication | Khalaji, Aliakbar Dehno; Grivani, Gholamhossein; Seyyedi, Mohammad; Fejfarová, Karla; Dušek, Michal |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 7 |
| Pages of publication | m971 |
| a | 17.0433 ± 0.0003 Å |
| b | 9.3216 ± 0.0002 Å |
| c | 13.6038 ± 0.0002 Å |
| α | 90° |
| β | 97.313 ± 0.002° |
| γ | 90° |
| Cell volume | 2143.67 ± 0.07 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 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 all reflections | 0.0371 |
| Residual factor for significantly intense reflections | 0.0233 |
| Weighted residual factors for all reflections | 0.0534 |
| Weighted residual factors for significantly intense reflections | 0.0494 |
| Weighted residual factors for all reflections included in the refinement | 0.0534 |
| Goodness-of-fit parameter for all reflections | 1.32 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.32 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181275 (current) | 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 2/23/53. |
2235375.cif 2235375.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2235375.cif 2235375.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2235375.cif 2235375.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2235375.cif 2235375.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2235375.cif 2235375.hkl |
| 63824 | 2012-08-10 | cif/ Adding structures of 2235375 via cif-deposit CGI script. |
2235375.cif |
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Users of the data should acknowledge the original authors of the
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