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Information card for entry 2229752
Preview
| Coordinates | 2229752.cif |
|---|---|
| Structure factors | 2229752.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Bis{1-[(4-methylphenyl)iminomethyl]-2-naphtholato- κ^2^<i>N</i>,<i>O</i>}nickel(II) |
|---|---|
| Formula | C36 H28 N2 Ni O2 |
| Calculated formula | C36 H28 N2 Ni O2 |
| SMILES | [Ni]12([N](c3ccc(cc3)C)=Cc3c4ccccc4ccc3O2)[N](=Cc2c3ccccc3ccc2O1)c1ccc(cc1)C |
| Title of publication | Bis{1-[(4-methylphenyl)iminomethyl]-2-naphtholato-κ^2^<i>N</i>,<i>O</i>}nickel(II) |
| Authors of publication | Wang, Quanbo; Jiang, Jianzhuang; Zhu, Peihua |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 4 |
| Pages of publication | m470 |
| a | 7.1159 ± 0.0004 Å |
| b | 9.995 ± 0.0005 Å |
| c | 10.5803 ± 0.0005 Å |
| α | 103.057 ± 0.004° |
| β | 96.327 ± 0.004° |
| γ | 103.488 ± 0.004° |
| Cell volume | 702.21 ± 0.07 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0344 |
| Residual factor for significantly intense reflections | 0.0286 |
| Weighted residual factors for significantly intense reflections | 0.0722 |
| Weighted residual factors for all reflections included in the refinement | 0.0736 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301805 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/22 Each referenced PubChem compound corresponds to the full crystal structure. |
2229752.cif 2229752.hkl |
| 181218 | 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 2/22/97. |
2229752.cif 2229752.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. |
2229752.cif 2229752.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2229752.cif 2229752.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. | 2229752.cif 2229752.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2229752.cif 2229752.hkl |
| 19531 | 2011-05-17 | hkl/2/ Adding Fobs data for the latest IUCr deposition. |
2229752.cif 2229752.hkl |
| 19223 | 2011-05-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2229752 via cif-deposit CGI script. |
2229752.cif |
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Users of the data should acknowledge the original authors of the
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