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Information card for entry 2232537
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| Coordinates | 2232537.cif |
|---|---|
| Structure factors | 2232537.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dichlorido[2-(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)ethanamine- κ<i>N</i>]zinc(II) |
|---|---|
| Formula | C7 H13 Cl2 N3 Zn |
| Calculated formula | C7 H13 Cl2 N3 Zn |
| SMILES | [Zn]1(Cl)(Cl)[n]2n(c(cc2C)C)CC[NH2]1 |
| Title of publication | Dichlorido[2-(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)ethanamine-κ<i>N</i>]zinc(II) |
| Authors of publication | Guzei, Ilia A.; Spencer, Lara C.; Segapelo, Tebogo V.; Darkwa, James |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 11 |
| Pages of publication | m1627 - m1628 |
| a | 9.06 ± 0.003 Å |
| b | 8.894 ± 0.002 Å |
| c | 14.26 ± 0.004 Å |
| α | 90° |
| β | 97.95 ± 0.03° |
| γ | 90° |
| Cell volume | 1138 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0206 |
| Residual factor for significantly intense reflections | 0.0199 |
| Weighted residual factors for significantly intense reflections | 0.051 |
| Weighted residual factors for all reflections included in the refinement | 0.0514 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | Cu-Kα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181247 (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 2/23/25. |
2232537.cif 2232537.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. |
2232537.cif 2232537.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232537.cif 2232537.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. | 2232537.cif 2232537.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232537.cif 2232537.hkl |
| 31211 | 2011-12-12 | ../uploads/cif-deposit/cod/cif Adding structures of 2232537 via cif-deposit CGI script. |
2232537.cif |
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Users of the data should acknowledge the original authors of the
structural data.