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Information card for entry 2230440
Preview
| Coordinates | 2230440.cif |
|---|---|
| Structure factors | 2230440.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis{μ-2-[(pyridin-2-yl)iminomethyl]phenolato}bis[(2- formylphenolato)copper(II)] |
|---|---|
| Formula | C38 H28 Cu2 N4 O6 |
| Calculated formula | C38 H28 Cu2 N4 O6 |
| SMILES | [Cu]12([O]=Cc3c(O1)cccc3)[N](=Cc1c(O2)cccc1)c1cccc[n]1[Cu]12([N](=Cc3c(O1)cccc3)c1ncccc1)[O]=Cc1ccccc1O2 |
| Title of publication | Bis{μ-2-[(pyridin-2-yl)iminomethyl]phenolato}bis[(2-formylphenolato)copper(II)] |
| Authors of publication | Chang, Hui-Chang; Cole, Jacqueline M.; Lin, Tze-Chia; Sylvester, Sven O.; Waddell, Paul G. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 6 |
| Pages of publication | m690 |
| a | 8.9811 ± 0.0018 Å |
| b | 18.856 ± 0.004 Å |
| c | 19.612 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3321.2 ± 1.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0594 |
| Residual factor for significantly intense reflections | 0.0568 |
| Weighted residual factors for all reflections included in the refinement | 0.1059 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.202 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181226 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/04. |
2230440.cif 2230440.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2230440.cif 2230440.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2230440.cif 2230440.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. | 2230440.cif 2230440.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2230440.cif 2230440.hkl |
| 22560 | 2011-07-04 | hkl/ Adding Fobs files for the recent IUCr data deposition. |
2230440.cif 2230440.hkl |
| 22427 | 2011-07-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2230440 via cif-deposit CGI script. |
2230440.cif |
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Users of the data should acknowledge the original authors of the
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