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Information card for entry 2234781
Preview
Coordinates | 2234781.cif |
---|---|
Structure factors | 2234781.hkl |
Original IUCr paper | HTML |
Chemical name | Bis(acetato-κ<i>O</i>)bis(pyridine-2-aldoxime- κ^2^<i>N</i>,<i>N</i>')nickel(II) |
---|---|
Formula | C16 H18 N4 Ni O6 |
Calculated formula | C16 H18 N4 Ni O6 |
SMILES | [Ni]12(OC(=O)C)(OC(=O)C)([n]3ccccc3C=[N]2O)[N](O)=Cc2[n]1cccc2 |
Title of publication | Bis(acetato-κ<i>O</i>)bis(pyridine-2-aldoxime-κ^2^<i>N</i>,<i>N</i>')nickel(II) |
Authors of publication | Si, Youtao |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2012 |
Journal volume | 68 |
Journal issue | 5 |
Pages of publication | m554 |
a | 8.649 ± 0.004 Å |
b | 13.707 ± 0.007 Å |
c | 17.775 ± 0.007 Å |
α | 90° |
β | 119.051 ± 0.017° |
γ | 90° |
Cell volume | 1842.1 ± 1.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0599 |
Residual factor for significantly intense reflections | 0.0442 |
Weighted residual factors for significantly intense reflections | 0.1046 |
Weighted residual factors for all reflections included in the refinement | 0.1134 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
181269 (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 2/23/47. |
2234781.cif 2234781.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. |
2234781.cif 2234781.hkl |
120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2234781.cif 2234781.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. | 2234781.cif 2234781.hkl |
66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2234781.cif 2234781.hkl |
60281 | 2012-06-14 | cif/ Adding structures of 2234781 via cif-deposit CGI script. |
2234781.cif |
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Users of the data should acknowledge the original authors of the
structural data.