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Information card for entry 2019083
Preview
| Coordinates | 2019083.cif |
|---|---|
| Structure factors | 2019083.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis{2-[(phenylimino)ethyl]-1<i>H</i>-pyrrol-1-ido-\ κ^2^<i>N</i>,<i>N</i>'}nickel(II) |
|---|---|
| Formula | C24 H22 N4 Ni |
| Calculated formula | C24 H22 N4 Ni |
| SMILES | [Ni]12([N](c3ccccc3)=C(c3cccn13)C)[N](c1ccccc1)=C(c1cccn21)C |
| Title of publication | Bis{2-[(phenylimino)ethyl]-1<i>H</i>-pyrrol-1-ido-κ^2^<i>N</i>,<i>N</i>'}nickel(II): a supramolecular structure formed by C—H···π hydrogen bonds |
| Authors of publication | Su, Bi-Yun; Wang, Jia-Xiang; Liu, Xiang; Li, Qian-Ding |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 8 |
| Pages of publication | 851 - 854 |
| a | 11.379 ± 0.002 Å |
| b | 15.174 ± 0.003 Å |
| c | 5.8453 ± 0.0011 Å |
| α | 90° |
| β | 101.447 ± 0.003° |
| γ | 90° |
| Cell volume | 989.2 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0651 |
| Residual factor for significantly intense reflections | 0.0434 |
| Weighted residual factors for significantly intense reflections | 0.0805 |
| Weighted residual factors for all reflections included in the refinement | 0.088 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180859 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/90. |
2019083.cif 2019083.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019083.cif 2019083.hkl |
| 89416 | 2013-10-25 | cif/ (saulius@koala.ibt.lt) Adding links pointing to FOBS data to the recently deposited structures from IUCr. |
2019083.cif 2019083.hkl |
| 89414 | 2013-10-24 | cod/ (saulius@koala.ibt.lt) Adding FOBS data for the recently deposited IUCr structures. |
2019083.cif 2019083.hkl |
| 88235 | 2013-09-04 | cif/ Adding structures of 2019083 via cif-deposit CGI script. |
2019083.cif |
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Users of the data should acknowledge the original authors of the
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