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Information card for entry 2228015
Preview
| Coordinates | 2228015.cif |
|---|---|
| Structure factors | 2228015.hkl |
| Original IUCr paper | HTML |
| Chemical name | {6,6'-Dimethoxy-2,2'-[4,5-dimethyl-<i>o</i>-phenylenebis(nitrilomethylidyne)]diphenolato}nickel(II) |
|---|---|
| Formula | C24 H22 N2 Ni O4 |
| Calculated formula | C24 H22 N2 Ni O4 |
| SMILES | [Ni]123Oc4c(C=[N]3c3c([N]2=Cc2c(O1)cccc2OC)cc(c(c3)C)C)c(OC)ccc4 |
| Title of publication | {6,6'-Dimethoxy-2,2'-[4,5-dimethyl-<i>o</i>-phenylenebis(nitrilomethylidyne)]diphenolato}nickel(II) |
| Authors of publication | Kargar, Hadi; Kia, Reza; Tahir, Muhammad Nawaz; Sahraei, Atefeh |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 10 |
| Pages of publication | m1246 |
| a | 12.8057 ± 0.0006 Å |
| b | 12.6514 ± 0.0005 Å |
| c | 13.0263 ± 0.0006 Å |
| α | 90° |
| β | 101.73 ± 0.002° |
| γ | 90° |
| Cell volume | 2066.32 ± 0.16 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0942 |
| Residual factor for significantly intense reflections | 0.0468 |
| Weighted residual factors for significantly intense reflections | 0.1065 |
| Weighted residual factors for all reflections included in the refinement | 0.124 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181201 (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 2/22/80. |
2228015.cif 2228015.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. |
2228015.cif 2228015.hkl |
| 171761 | 2015-12-30 | cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_common tags with whitespace values from multiple entries in range 2. |
2228015.cif 2228015.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228015.cif 2228015.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. | 2228015.cif 2228015.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228015.cif 2228015.hkl |
| 5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2228015.cif 2228015.hkl |
| 5052 | 2010-12-18 | ../uploads/cif-deposit/cod/cif Adding structures of 2228015 via cif-deposit CGI script. |
2228015.cif |
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Users of the data should acknowledge the original authors of the
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