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Information card for entry 2233520
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| Coordinates | 2233520.cif |
|---|---|
| Structure factors | 2233520.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis{2-[3-(hydroxyimino-κ<i>N</i>)butan-2-ylidene]-<i>N</i>- methylhydrazinecarbothioamide-κ^2^<i>N</i>^2^,<i>S</i>}nickel(II) dichloride |
|---|---|
| Formula | C12 H24 Cl2 N8 Ni O2 S2 |
| Calculated formula | C12 H24 Cl2 N8 Ni O2 S2 |
| SMILES | [Ni]1234([S]=C(N[N]2=C(C(=[N]1O)C)C)NC)[S]=C(N[N]4=C(C(=[N]3O)C)C)NC.[Cl-].[Cl-] |
| Title of publication | Bis{2-[3-(hydroxyimino-κ<i>N</i>)butan-2-ylidene]-<i>N</i>-methylhydrazinecarbothioamide-κ^2^<i>N</i>^2^,<i>S</i>}nickel(II) dichloride |
| Authors of publication | Abduelftah, Halema Shaban; Qasem Ali, Amna; Eltayeb, Naser Eltaher; Teoh, Siang Guan; Fun, Hoong-Kun |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 2 |
| Pages of publication | m108 - m109 |
| a | 8.9484 ± 0.0001 Å |
| b | 13.8043 ± 0.0002 Å |
| c | 35.4643 ± 0.0005 Å |
| α | 90° |
| β | 95.78 ± 0.001° |
| γ | 90° |
| Cell volume | 4358.51 ± 0.1 Å3 |
| Cell temperature | 100 ± 1 K |
| Ambient diffraction temperature | 100 ± 1 K |
| Number of distinct elements | 7 |
| 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 | 0.081 |
| Residual factor for significantly intense reflections | 0.0433 |
| Weighted residual factors for significantly intense reflections | 0.0805 |
| Weighted residual factors for all reflections included in the refinement | 0.0929 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181257 (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 2/23/35. |
2233520.cif 2233520.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. |
2233520.cif 2233520.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233520.cif 2233520.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. | 2233520.cif 2233520.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2233520.cif 2233520.hkl |
| 38316 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2233520 via cif-deposit CGI script. |
2233520.cif |
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Users of the data should acknowledge the original authors of the
structural data.