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Information card for entry 4325886
Preview
| Coordinates | 4325886.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H42 F12 N8 O19 S4 Zn2 |
|---|---|
| Calculated formula | C29 H42 F12 N8 O19 S4 Zn2 |
| SMILES | C1c2cccc3C=[N]4N(C)c5cc6[n](c(C)[n]5[Zn]4([n]23)([OH]1)([OH2])[OH2])[Zn]12([N](=Cc3cccc(C[OH]2)[n]13)N6C)([OH2])[OH2].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].CCOCC |
| Title of publication | Metal Ion-Controlled Self-Assembly Using Pyrimidine Hydrazone Molecular Strands with Terminal Hydroxymethyl Groups: A Comparison of Pb(II) and Zn(II) Complexes |
| Authors of publication | Daniel J. Hutchinson; Lyall R. Hanton; Stephen C. Moratti |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2011 |
| Journal volume | 50 |
| Pages of publication | 7637 - 7649 |
| a | 13.5655 ± 0.0013 Å |
| b | 14.274 ± 0.003 Å |
| c | 14.289 ± 0.0015 Å |
| α | 101.348 ± 0.007° |
| β | 113.591 ± 0.005° |
| γ | 98.629 ± 0.007° |
| Cell volume | 2404.1 ± 0.6 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 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 | 0.0306 |
| Residual factor for significantly intense reflections | 0.026 |
| Weighted residual factors for significantly intense reflections | 0.0744 |
| Weighted residual factors for all reflections included in the refinement | 0.0982 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.218 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179361 (current) | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/58. |
4325886.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4325886.cif |
| 46922 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4325886 via cif-deposit CGI script. |
4325886.cif |
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