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Information card for entry 8102150
Preview
| Coordinates | 8102150.cif |
|---|
| Chemical name | 1,4-diazabicyclo[2.2.2]octane tetrachlorozincate |
|---|---|
| Formula | C6 H14 Cl4 N2 Zn |
| Calculated formula | C6 H14 Cl4 N2 Zn |
| SMILES | [Zn](Cl)(Cl)([Cl-])[Cl-].[NH+]12CC[NH+](CC1)CC2 |
| Title of publication | Refinement of the crystal structure of 1,4-diazabicyclo[2.2.2]octane tetrachlorozincate, (C~6~H~14~N~2~)(ZnCl~4~), at 153 K |
| Authors of publication | Lu, Lu-Ping; Xie, Jian-Wu; Chen, Zhen-Hua; Tong, Guo-Tong; Li, Zu-Guang |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2007 |
| Journal volume | 222 |
| Journal issue | 3 |
| Pages of publication | 277 - 278 |
| a | 9.5046 ± 0.0003 Å |
| b | 6.726 ± 0.0001 Å |
| c | 18.2493 ± 0.0004 Å |
| α | 90° |
| β | 92.931 ± 0.001° |
| γ | 90° |
| Cell volume | 1165.11 ± 0.05 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0336 |
| Residual factor for significantly intense reflections | 0.0331 |
| Weighted residual factors for significantly intense reflections | 0.0893 |
| Weighted residual factors for all reflections included in the refinement | 0.09 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
8102150.cif |
| 108388 | 2014-03-31 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8102150.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102150.cif |
| 31967 | 2012-01-03 | cif/8/ Removing incorrect Acta Cryst. coeditor code from 8102150.cif. |
8102150.cif |
| 12889 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102150 via cif-deposit CGI script. |
8102150.cif |
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