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Information card for entry 7032141
Preview
| Coordinates | 7032141.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H24 Br2 N4 O2 Zn |
|---|---|
| Calculated formula | C12 H24 Br2 N4 O2 Zn |
| SMILES | Br[Zn](Br)([O]=C(N1CCCCC1)N)[O]=C(N)N1CCCCC1 |
| Title of publication | Novel (cyanamide)Zn(II) complexes and zinc(ii)-mediated hydration of the cyanamide ligands. |
| Authors of publication | Smirnov, Andrey S.; Butukhanova, Ekaterina S.; Bokach, Nadezhda A.; Starova, Galina L.; Gurzhiy, Vladislav V.; Kuznetsov, Maxim L.; Kukushkin, Vadim Yu |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 42 |
| Pages of publication | 15798 - 15811 |
| a | 10.6266 ± 0.0002 Å |
| b | 17.3401 ± 0.0005 Å |
| c | 9.7944 ± 0.0002 Å |
| α | 90° |
| β | 93.34 ± 0.002° |
| γ | 90° |
| Cell volume | 1801.71 ± 0.07 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 all reflections | 0.0456 |
| Residual factor for significantly intense reflections | 0.032 |
| Weighted residual factors for significantly intense reflections | 0.0561 |
| Weighted residual factors for all reflections included in the refinement | 0.0609 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180027 (current) | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/21. |
7032141.cif |
| 126501 | 2014-11-06 | cif/ Updating files of 7032128, 7032129, 7032130, 7032131, 7032132, 7032133, 7032134, 7032135, 7032136, 7032137, 7032138, 7032139, 7032140, 7032141 Original log message: Adding full bibliography for 7032128--7032141.cif. |
7032141.cif |
| 122429 | 2014-08-23 | cif/ Adding structures of 7032128, 7032129, 7032130, 7032131, 7032132, 7032133, 7032134, 7032135, 7032136, 7032137, 7032138, 7032139, 7032140, 7032141 via cif-deposit CGI script. |
7032141.cif |
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Users of the data should acknowledge the original authors of the
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