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Information card for entry 7007703
Preview
| Coordinates | 7007703.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H54 Cu2 F6 N6 O10 S2 |
|---|---|
| Calculated formula | C32 H54 Cu2 F6 N6 O10 S2 |
| SMILES | S(=O)(=O)([O-])C(F)(F)F.c1c2C=[N]3[Cu]([N](CC3)(C(C)C)C(C)C)(Oc2cc2c1O[Cu]1([N](=C2)CC[N]1(C(C)C)C(C)C)[O]=CN(C)C)[O]=CN(C)C.S(=O)(=O)([O-])C(F)(F)F |
| Title of publication | Hydroquinone-bridged dinuclear Cu(II) complexes and single-crystalline Cu(II) coordination polymers. |
| Authors of publication | Kretz, Tonia; Bats, Jan W.; Losi, Serena; Wolf, Bernd; Lerner, Hans-Wolfram; Lang, Michael; Zanello, Piero; Wagner, Matthias |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2006 |
| Journal issue | 41 |
| Pages of publication | 4914 - 4921 |
| a | 7.778 ± 0.0007 Å |
| b | 8.9085 ± 0.0008 Å |
| c | 15.9926 ± 0.0014 Å |
| α | 102.564 ± 0.005° |
| β | 96.494 ± 0.005° |
| γ | 96.263 ± 0.006° |
| Cell volume | 1064.4 ± 0.17 Å3 |
| Cell temperature | 224 ± 2 K |
| Ambient diffraction temperature | 224 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1315 |
| Residual factor for significantly intense reflections | 0.0573 |
| Weighted residual factors for significantly intense reflections | 0.1123 |
| Weighted residual factors for all reflections included in the refinement | 0.1352 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179781 (current) | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/77. |
7007703.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7007703.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7007703.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7007703.cif |
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Users of the data should acknowledge the original authors of the
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