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Information card for entry 2229303
Preview
| Coordinates | 2229303.cif |
|---|---|
| Structure factors | 2229303.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis[2-(benzylamino)pyridine-κ<i>N</i>^1^]bis(2-formylphenolato- κ^2^<i>O</i>,<i>O</i>')nickel(II) |
|---|---|
| Formula | C38 H34 N4 Ni O4 |
| Calculated formula | C38 H34 N4 Ni O4 |
| SMILES | [Ni]12(Oc3ccccc3C=[O]1)([n]1ccccc1NCc1ccccc1)([n]1ccccc1NCc1ccccc1)Oc1ccccc1C=[O]2 |
| Title of publication | Bis[2-(benzylamino)pyridine-κ<i>N</i>^1^]bis(2-formylphenolato-κ^2^<i>O</i>,<i>O</i>')nickel(II) |
| Authors of publication | Ayikoé, Kouassi; Butcher, Ray J.; Gultneh, Yilma |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 2 |
| Pages of publication | m207 - m208 |
| a | 8.1747 ± 0.0005 Å |
| b | 9.3365 ± 0.0005 Å |
| c | 10.9183 ± 0.0006 Å |
| α | 73.926 ± 0.005° |
| β | 84.766 ± 0.005° |
| γ | 77.247 ± 0.005° |
| Cell volume | 780.58 ± 0.08 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0451 |
| Residual factor for significantly intense reflections | 0.0341 |
| Weighted residual factors for significantly intense reflections | 0.084 |
| Weighted residual factors for all reflections included in the refinement | 0.0864 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181214 (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 2/22/93. |
2229303.cif 2229303.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. |
2229303.cif 2229303.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2229303.cif 2229303.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. | 2229303.cif 2229303.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2229303.cif 2229303.hkl |
| 14261 | 2011-03-09 | Adding the Fobs data for the recenty deposited IUCr structrures. | 2229303.cif 2229303.hkl |
| 12396 | 2011-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 2229303 via cif-deposit CGI script. |
2229303.cif |
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Users of the data should acknowledge the original authors of the
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