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Information card for entry 2018921
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| Coordinates | 2018921.cif |
|---|---|
| Structure factors | 2018921.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis[μ-2-({2-[2-(2-chlorophenoxy)-1-oxidoethylidene]hydrazinylidene}methyl)phenolato]bis[pyridinecopper(II)] methanol disolvate |
|---|---|
| Formula | C42 H40 Cl2 Cu2 N6 O8 |
| Calculated formula | C42 H40 Cl2 Cu2 N6 O8 |
| SMILES | Clc1ccccc1OCC1=N[N]2=Cc3c([O]4[Cu]2(O1)([n]1ccccc1)[O]1[Cu]24(OC(=N[N]2=Cc2c1cccc2)COc1ccccc1Cl)[n]1ccccc1)cccc3.OC.OC |
| Title of publication | Bis[μ-2-({2-[2-(2-chlorophenoxy)-1-oxidoethylidene]hydrazinylidene}methyl)phenolato]bis[pyridinecopper(II)] methanol disolvate |
| Authors of publication | Zhao, Ning |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 4 |
| Pages of publication | 348 - 350 |
| a | 7.557 ± 0.0016 Å |
| b | 12.223 ± 0.003 Å |
| c | 12.681 ± 0.003 Å |
| α | 111.615 ± 0.003° |
| β | 92.294 ± 0.004° |
| γ | 101.13 ± 0.004° |
| Cell volume | 1060.5 ± 0.4 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0381 |
| Residual factor for significantly intense reflections | 0.0317 |
| Weighted residual factors for significantly intense reflections | 0.1015 |
| Weighted residual factors for all reflections included in the refinement | 0.1141 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180858 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/89. |
2018921.cif 2018921.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2018921.cif 2018921.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2018921.cif 2018921.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2018921.cif 2018921.hkl |
| 85428 | 2013-05-07 | cif/ Adding structures of 2018921 via cif-deposit CGI script. |
2018921.cif |
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Users of the data should acknowledge the original authors of the
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