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Information card for entry 7008336
Preview
| Coordinates | 7008336.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C50 H52 B2 Cl4 F14 N6 Zn |
|---|---|
| Calculated formula | C50 H52 B2 Cl4 F14 N6 Zn |
| Title of publication | Bis(triazacyclohexane) sandwich complexes of (Cu(I))(2), Cu(II) and Zn(II): complexes with cuprophilic attraction between two cationic copper(I) leading to unusual reactivity with dioxygen. |
| Authors of publication | Köhn, Randolf D; Pan, Zhida; Haufe, Matthias; Kociok-Köhn, Gabriele |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2005 |
| Journal issue | 16 |
| Pages of publication | 2793 - 2797 |
| a | 14.173 ± 0.003 Å |
| b | 10.024 ± 0.003 Å |
| c | 19.624 ± 0.003 Å |
| α | 90° |
| β | 109.28 ± 0.03° |
| γ | 90° |
| Cell volume | 2631.6 ± 1.2 Å3 |
| Cell temperature | 186 ± 2 K |
| Ambient diffraction temperature | 186 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1949 |
| Residual factor for significantly intense reflections | 0.073 |
| Weighted residual factors for significantly intense reflections | 0.0913 |
| Weighted residual factors for all reflections included in the refinement | 0.1199 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
7008336.cif |
| 179787 | 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 7/00/83. |
7008336.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7008336.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7008336.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7008336.cif |
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Users of the data should acknowledge the original authors of the
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