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Information card for entry 7014729
Preview
| Coordinates | 7014729.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H88 N6 O6 Zn5 |
|---|---|
| Calculated formula | C36 H88 N6 O6 Zn5 |
| SMILES | N([O]1[Zn]2([N]([O]3[Zn]45[O]([N](CC)(CC)[Zn]13C(C)C)[Zn]1([O](N(CC)CC)[Zn]([N]([O]24)(CC)CC)([O]5[N]1(CC)CC)C(C)C)C(C)C)(CC)CC)C(C)C)(CC)CC |
| Title of publication | Organozinc hydroxylamides: on the bulk-dependent interplay of nuclearity, structure and dynamics. |
| Authors of publication | Ullrich, Matthias; Berger, Raphael J. F.; Jana, Surajit; Pape, Tania; Fröhlich, Roland; Mitzel, Norbert W. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 5 |
| Pages of publication | 1144 - 1157 |
| a | 11.586 ± 0.001 Å |
| b | 17.078 ± 0.001 Å |
| c | 25.013 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4949.2 ± 0.6 Å3 |
| Cell temperature | 198 ± 2 K |
| Ambient diffraction temperature | 198 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0528 |
| Residual factor for significantly intense reflections | 0.0373 |
| Weighted residual factors for significantly intense reflections | 0.0714 |
| Weighted residual factors for all reflections included in the refinement | 0.0752 |
| 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 |
|---|---|---|---|
| 179851 (current) | 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 7/01/47. |
7014729.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7014729.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7014729.cif |
| 14835 | 2011-03-11 | ../uploads/cif-deposit/cod/cif Adding structures of 7014729, 7014730, 7014731, 7014732 via cif-deposit CGI script. |
7014729.cif |
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