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Information card for entry 2232268
Preview
| Coordinates | 2232268.cif |
|---|---|
| Structure factors | 2232268.hkl |
| Original IUCr paper | HTML |
| Chemical name | {2,2'-[<i>o</i>-Phenylenebis(nitrilomethanylylidene)]diphenolato- κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}nickel(II) monohydrate |
|---|---|
| Formula | C20 H16 N2 Ni O3 |
| Calculated formula | C20 H16 N2 Ni O3 |
| Title of publication | {2,2'-[<i>o</i>-Phenylenebis(nitrilomethanylylidene)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}nickel(II) monohydrate |
| Authors of publication | Ghaemi, Akbar; Fayyazi, Kazem; Keyvani, Bahram; Ng, Seik Weng; Tiekink, Edward R. T. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 11 |
| Pages of publication | m1481 - m1482 |
| a | 31.5519 ± 0.0013 Å |
| b | 31.5519 ± 0.0013 Å |
| c | 9.0255 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 7781.3 ± 0.7 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.0638 |
| Residual factor for significantly intense reflections | 0.0406 |
| Weighted residual factors for significantly intense reflections | 0.104 |
| Weighted residual factors for all reflections included in the refinement | 0.1203 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181244 (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 2/23/22. |
2232268.cif 2232268.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. |
2232268.cif 2232268.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232268.cif 2232268.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. | 2232268.cif 2232268.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232268.cif 2232268.hkl |
| 30923 | 2011-12-12 | ../uploads/cif-deposit/cod/cif Adding structures of 2232268 via cif-deposit CGI script. |
2232268.cif |
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Users of the data should acknowledge the original authors of the
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