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Information card for entry 7011105
Preview
| Coordinates | 7011105.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | bis[hexa(dimethylsulfoxide)(aqua)(nitrato)dinickel(II){N,N'-bis[5-(2-Pyridyl)- 4H-pyrazole-3-carbonyl]-1,2-diaminoethane(2-)}] trinitrate hydrate tri(dimethylsulfoxide) acetone solvate |
|---|---|
| Formula | C61 H96 N20 Ni4 O28 S9 |
| Calculated formula | C61.058 H56 N20 Ni4 O28 S8.942 |
| Title of publication | Control of molecular topology by stereochemical preferences of metal ions: double helical versus side-by-side structures in tetranuclear copper(II) and nickel(II) complexes |
| Authors of publication | Roland Krämer; Igor O. Fritsky; Hans Pritzkow; Larisa A. Kovbasyuk |
| Journal of publication | J. Chem. Soc., Dalton Trans. |
| Year of publication | 2002 |
| Journal issue | 7 |
| Pages of publication | 1307 - 1314 |
| a | 9.3586 ± 0.0005 Å |
| b | 14.3017 ± 0.0008 Å |
| c | 32.6843 ± 0.0017 Å |
| α | 90° |
| β | 90.818 ± 0.001° |
| γ | 90° |
| Cell volume | 4374.1 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0907 |
| Residual factor for significantly intense reflections | 0.081 |
| Weighted residual factors for significantly intense reflections | 0.2071 |
| Weighted residual factors for all reflections included in the refinement | 0.2112 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.156 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213973 (current) | 2019-03-05 | cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries. |
7011105.cif |
| 179815 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/11. |
7011105.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7011105.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7011105.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7011105.cif |
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Users of the data should acknowledge the original authors of the
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