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Information card for entry 7009029
Preview
| Coordinates | 7009029.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C45 H44 Cu4 N8 O6 |
|---|---|
| Calculated formula | C45 H42 Cu4 N8 O6 |
| SMILES | C1C2=[O]3[Cu]4(Oc5c(C=[N]4C2)cccc5)n2[n](c(c(c2C)Cc2c([n]4n(c2C)[Cu]25[N](CC6C[N]7=Cc8c(cccc8)O[Cu]47[O]2=6)=Cc2ccccc2O5)C)C)[Cu]23[N]1=Cc1c(O2)cccc1 |
| Title of publication | Tetranuclear copper(II) complexes incorporating short and long metal‒metal separations: synthesis, structure and magnetism † |
| Authors of publication | Kruger, Paul E.; Moubaraki, Boujemaa; Fallon, Gary D.; Murray, Keith S. |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 2000 |
| Journal issue | 5 |
| Pages of publication | 713 |
| a | 14.495 ± 0.003 Å |
| b | 17.395 ± 0.002 Å |
| c | 16.334 ± 0.002 Å |
| α | 90° |
| β | 100.98 ± 0.01° |
| γ | 90° |
| Cell volume | 4043.1 ± 1.1 Å3 |
| Cell temperature | 293.2 K |
| Ambient diffraction temperature | 293.2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0568 |
| Residual factor for significantly intense reflections | 0.0388 |
| Weighted residual factors for all reflections | 0.0655 |
| Weighted residual factors for all reflections included in the refinement | 0.0478 |
| Goodness-of-fit parameter for all reflections | 1.806 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.536 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7009029.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7009029.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7009029.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7009029.cif |
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Users of the data should acknowledge the original authors of the
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