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Information card for entry 2232603
Preview
| Coordinates | 2232603.cif |
|---|---|
| Structure factors | 2232603.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis{μ-4-chloro-<i>N</i>'-[(<i>E</i>)-1-(5-chloro-2- oxidophenyl)ethylidene]benzohydrazidato}bis[pyridinecopper(II)] |
|---|---|
| Formula | C40 H30 Cl4 Cu2 N6 O4 |
| Calculated formula | C40 H30 Cl4 Cu2 N6 O4 |
| SMILES | C1(=N[N]2=C(c3cc(ccc3[O]3[Cu]2(O1)([n]1ccccc1)[O]1[Cu]23([N](=C(c3cc(ccc13)Cl)C)N=C(O2)c1ccc(cc1)Cl)[n]1ccccc1)Cl)C)c1ccc(cc1)Cl |
| Title of publication | Bis{μ-4-chloro-<i>N</i>'-[(<i>E</i>)-1-(5-chloro-2-oxidophenyl)ethylidene]benzohydrazidato}bis[pyridinecopper(II)] |
| Authors of publication | Chang, Jian-Guo |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 12 |
| Pages of publication | m1886 |
| a | 11.913 ± 0.002 Å |
| b | 8.0783 ± 0.0016 Å |
| c | 19.997 ± 0.004 Å |
| α | 90° |
| β | 95.66 ± 0.03° |
| γ | 90° |
| Cell volume | 1915.1 ± 0.6 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.0314 |
| Residual factor for significantly intense reflections | 0.026 |
| Weighted residual factors for significantly intense reflections | 0.0618 |
| Weighted residual factors for all reflections included in the refinement | 0.0644 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181248 (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 2/23/26. |
2232603.cif 2232603.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. |
2232603.cif 2232603.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232603.cif 2232603.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. | 2232603.cif 2232603.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232603.cif 2232603.hkl |
| 31476 | 2012-01-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2232603 via cif-deposit CGI script. |
2232603.cif |
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Users of the data should acknowledge the original authors of the
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