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Information card for entry 2227982
Preview
| Coordinates | 2227982.cif |
|---|---|
| Structure factors | 2227982.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis{4-chloro-<i>N</i>'-[phenyl(2- pyridyl)methylidene]benzohydrazidato}cobalt(III) nitrate methanol disolvate |
|---|---|
| Formula | C40 H34 Cl2 Co N7 O7 |
| Calculated formula | C40 H34 Cl2 Co N7 O7 |
| SMILES | [Co]1234([n]5ccccc5C(c5ccccc5)=[N]1N=C(c1ccc(Cl)cc1)O3)[n]1c(C(c3ccccc3)=[N]2N=C(c2ccc(Cl)cc2)O4)cccc1.OC.CO.O=N(=O)[O-] |
| Title of publication | Bis{4-chloro-<i>N</i>'-[phenyl(2-pyridyl)methylidene]benzohydrazidato-κ^2^<i>N</i>',<i>O</i>}cobalt(III) nitrate methanol disolvate |
| Authors of publication | Wu, Genhua; Ye, Hui; Wu, Dayu |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 9 |
| Pages of publication | m1121 |
| a | 12.914 ± 0.008 Å |
| b | 17.423 ± 0.011 Å |
| c | 17.451 ± 0.011 Å |
| α | 90° |
| β | 93.031 ± 0.008° |
| γ | 90° |
| Cell volume | 3921 ± 4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0786 |
| Residual factor for significantly intense reflections | 0.0505 |
| Weighted residual factors for significantly intense reflections | 0.1431 |
| Weighted residual factors for all reflections included in the refinement | 0.1556 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181200 (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 2/22/79. |
2227982.cif 2227982.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. |
2227982.cif 2227982.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2227982.cif 2227982.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. | 2227982.cif 2227982.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2227982.cif 2227982.hkl |
| 5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2227982.cif 2227982.hkl |
| 5019 | 2010-12-18 | ../uploads/cif-deposit/cod/cif Adding structures of 2227982 via cif-deposit CGI script. |
2227982.cif |
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Users of the data should acknowledge the original authors of the
structural data.