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Information card for entry 7008962
Preview
| Coordinates | 7008962.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H17 Cu2 N11 O9 |
|---|---|
| Calculated formula | C16 H17 Cu2 N11 O9 |
| SMILES | [Cu]123[n]4ccccc4C(N)=[N]1N=C(C)C(=[N]2N1[Cu](ON(=O)=O)(ON(=O)=O)[n]2c(cccc2)C1=[NH]3)C.O=N(=O)[O-] |
| Title of publication | Dinuclear and tetranuclear copper(II) complexes with bridging (N‒N) diazine ligands: variable magnetic exchange topologies † |
| Authors of publication | Xu, Zhiqiang; Thompson, Laurence K.; Matthews, Craig J.; Miller, David O.; Goeta, Andrés E.; Wilson, Claire; Howard, Judith A. K.; Ohba, Masaaki; Ōkawa, Hisashi |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 2000 |
| Journal issue | 1 |
| Pages of publication | 69 |
| a | 10.757 ± 0.004 Å |
| b | 10.993 ± 0.003 Å |
| c | 10.59 ± 0.003 Å |
| α | 110.8 ± 0.02° |
| β | 99.77 ± 0.03° |
| γ | 90.34 ± 0.03° |
| Cell volume | 1150.7 ± 0.7 Å3 |
| Cell temperature | 299.2 K |
| Ambient diffraction temperature | 299.2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1024 |
| Residual factor for significantly intense reflections | 0.044 |
| Weighted residual factors for all reflections | 0.049 |
| Weighted residual factors for all reflections included in the refinement | 0.043 |
| Goodness-of-fit parameter for all reflections | 1.419 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.62 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| 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. |
7008962.cif |
| 129439 | 2015-01-07 | cod/ (robertas@burundukas) Correcting values of _exptl_crystal_density_meas and _exptl_crystal_density_method data items: codsql "select codid from validation where message like '%\\'_exptl_crystal_density_meas\\' value \"not measured\" is %'" -NB \ | codid2file \ | xargs perl -i -pe "s/_exptl_crystal_density_meas\\s+'not +measured'/_exptl_crystal_density_meas ?/i; \ s/_exptl_crystal_density_method\\s+('not +measured'|\\?|none)/_exptl_crystal_density_method ./i" |
7008962.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7008962.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7008962.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7008962.cif |
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Users of the data should acknowledge the original authors of the
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