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Information card for entry 4325882
Preview
| Coordinates | 4325882.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C21 H26 Cl4 N8 O19 Pb2 |
|---|---|
| Calculated formula | C21 H26 Cl4 N8 O19 Pb2 |
| SMILES | C1c2cccc3C=[N](N(C)c4cc5[n](c(C)n4)[Pb]46([N](=Cc7cccc(C[OH]6)[n]47)N5C)(OCl(=O)(=O)=O)OCl(=O)(=O)=O)[Pb]([n]23)([OH]1)([OH2])OCl(=O)(=O)=O.[O-]Cl(=O)(=O)=O |
| 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 | 9.1759 ± 0.0018 Å |
| b | 11.974 ± 0.002 Å |
| c | 16.043 ± 0.003 Å |
| α | 84.705 ± 0.009° |
| β | 80.236 ± 0.011° |
| γ | 78.353 ± 0.009° |
| Cell volume | 1698.3 ± 0.5 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0177 |
| Residual factor for significantly intense reflections | 0.0163 |
| Weighted residual factors for significantly intense reflections | 0.0495 |
| Weighted residual factors for all reflections included in the refinement | 0.0501 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.195 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301838 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure. |
4325882.cif |
| 179361 | 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. |
4325882.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4325882.cif |
| 46918 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4325882 via cif-deposit CGI script. |
4325882.cif |
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