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Information card for entry 7008959
Preview
| Coordinates | 7008959.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H25 Cu2 N14 O13.5 |
|---|---|
| Calculated formula | C26 H25 Cu2 N14 O13.5 |
| SMILES | [Cu]123[n]4ccccc4c4[n]1[n]1[Cu]5([n]6c(c1cc4)cccc6)([n]1ccccc1C(=[N]5[N]2=C(N)c1[n]3cccc1)N)[OH2].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[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 | 9.709 ± 0.001 Å |
| b | 17.688 ± 0.002 Å |
| c | 19.155 ± 0.002 Å |
| α | 91.691 ± 0.004° |
| β | 95.085 ± 0.003° |
| γ | 97.501 ± 0.003° |
| Cell volume | 3245.7 ± 0.6 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0595 |
| Residual factor for significantly intense reflections | 0.0375 |
| Weighted residual factors for significantly intense reflections | 0.0795 |
| Weighted residual factors for all reflections included in the refinement | 0.091 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301846 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/00/ Each referenced PubChem compound corresponds to the full crystal structure. |
7008959.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7008959.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" |
7008959.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7008959.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7008959.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7008959.cif |
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Users of the data should acknowledge the original authors of the
structural data.