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Information card for entry 2229455
Preview
| Coordinates | 2229455.cif |
|---|---|
| Structure factors | 2229455.hkl |
| Original IUCr paper | HTML |
| Chemical name | [<i>N</i>'-(3-Methoxy-2-oxidobenzylidene-κ<i>O</i>^2^)benzohydrazidato- κ^2^<i>N</i>',<i>O</i>]tris(pyridine-κ<i>N</i>)cobalt(III) perchlorate |
|---|---|
| Formula | C30 H27 Cl Co N5 O7 |
| Calculated formula | C30 H27 Cl Co N5 O7 |
| SMILES | Cl(=O)(=O)(=O)[O-].[Co]12([N](=Cc3c(c(ccc3)OC)O2)N=C(c2ccccc2)O1)([n]1ccccc1)([n]1ccccc1)[n]1ccccc1 |
| Title of publication | [<i>N</i>'-(3-Methoxy-2-oxidobenzylidene-κ<i>O</i>^2^)benzohydrazidato-κ^2^<i>N</i>',<i>O</i>]tris(pyridine-κ<i>N</i>)cobalt(III) perchlorate |
| Authors of publication | Yu, Gui-Miao; Yang, Xiu-Yun; Wang, Yuan; Xiao, Ya-Juan; Li, Yun-Hui |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 3 |
| Pages of publication | m329 |
| a | 10.7591 ± 0.0005 Å |
| b | 13.2318 ± 0.0006 Å |
| c | 21.0558 ± 0.001 Å |
| α | 90° |
| β | 94.61 ± 0.001° |
| γ | 90° |
| Cell volume | 2987.9 ± 0.2 Å3 |
| Cell temperature | 185 ± 2 K |
| Ambient diffraction temperature | 185 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0428 |
| Residual factor for significantly intense reflections | 0.0363 |
| Weighted residual factors for significantly intense reflections | 0.0687 |
| Weighted residual factors for all reflections included in the refinement | 0.0719 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181215 (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 2/22/94. |
2229455.cif 2229455.hkl |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
2229455.cif 2229455.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2229455.cif 2229455.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. | 2229455.cif 2229455.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2229455.cif 2229455.hkl |
| 17966 | 2011-04-13 | hkl/: adding the rest of Fobs files for the recent IUCr deposit. | 2229455.cif 2229455.hkl |
| 17512 | 2011-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 2229455 via cif-deposit CGI script. |
2229455.cif |
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