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Information card for entry 2018088
Preview
| Coordinates | 2018088.cif |
|---|---|
| Structure factors | 2018088.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(4-methylbenzylammonium) tetrachloridozincate |
|---|---|
| Formula | C16 H24 Cl4 N2 Zn |
| Calculated formula | C16 H24 Cl4 N2 Zn |
| SMILES | [Zn](Cl)(Cl)([Cl-])[Cl-].[NH3+]Cc1ccc(C)cc1.[NH3+]Cc1ccc(cc1)C |
| Title of publication | Bis(4-methylbenzylammonium) tetrachloridozincate: a new noncentrosymmetric structure characterized by ^13^C CP‒MAS NMR spectroscopy |
| Authors of publication | Kefi, Riadh; Jeanneau, Erwann; Lefebvre, Frédéric; Ben Nasr, Cherif |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 5 |
| Pages of publication | m126 - m129 |
| a | 10.6623 ± 0.0008 Å |
| b | 25.395 ± 0.002 Å |
| c | 7.4167 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2008.2 ± 0.3 Å3 |
| Cell temperature | 110 K |
| Ambient diffraction temperature | 110 K |
| Number of distinct elements | 5 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0762 |
| Residual factor for significantly intense reflections | 0.066 |
| Weighted residual factors for all reflections | 0.143 |
| Weighted residual factors for significantly intense reflections | 0.127 |
| Weighted residual factors for all reflections included in the refinement | 0.143 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.924 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180849 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/80. |
2018088.cif 2018088.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. |
2018088.cif 2018088.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018088.cif 2018088.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. | 2018088.cif 2018088.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2018088.cif 2018088.hkl |
| 22560 | 2011-07-04 | hkl/ Adding Fobs files for the recent IUCr data deposition. |
2018088.cif 2018088.hkl |
| 20254 | 2011-06-03 | ../uploads/cif-deposit/cod/cif Adding structures of 2018088 via cif-deposit CGI script. |
2018088.cif |
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Users of the data should acknowledge the original authors of the
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