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Information card for entry 2228324
Preview
| Coordinates | 2228324.cif |
|---|---|
| Structure factors | 2228324.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis[2-(pyridin-2-yl)ethanol-κ^2^<i>N</i>,<i>O</i>]bis(thiocyanato- κ<i>N</i>)nickel(II) |
|---|---|
| Formula | C16 H18 N4 Ni O2 S2 |
| Calculated formula | C16 H18 N4 Ni O2 S2 |
| SMILES | C(=N[Ni]12([n]3c(CC[OH]1)cccc3)([n]1c(CC[OH]2)cccc1)N=C=S)=S |
| Title of publication | Bis[2-(pyridin-2-yl)ethanol-κ^2^<i>N</i>,<i>O</i>]bis(thiocyanato-κ<i>N</i>)nickel(II) |
| Authors of publication | Lv, Lei; Qiu, Xiumin; Yang, Jie; Liu, Shizheng; Li, Dacheng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 12 |
| Pages of publication | m1587 |
| a | 8.7197 ± 0.0009 Å |
| b | 13.8634 ± 0.0015 Å |
| c | 7.8655 ± 0.0007 Å |
| α | 90° |
| β | 105.496 ± 0.002° |
| γ | 90° |
| Cell volume | 916.26 ± 0.16 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.0341 |
| Residual factor for significantly intense reflections | 0.0272 |
| Weighted residual factors for significantly intense reflections | 0.0694 |
| Weighted residual factors for all reflections included in the refinement | 0.076 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181204 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/83. |
2228324.cif 2228324.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2228324.cif 2228324.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228324.cif 2228324.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. | 2228324.cif 2228324.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228324.cif 2228324.hkl |
| 11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228324.cif 2228324.hkl |
| 5776 | 2011-01-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2228322, 2228323, 2228324, 2228325, 2228326, 2228327, 2228328, 2228329, 2228330, 2228331 via cif-deposit CGI script. |
2228324.cif |
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