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Information card for entry 4324181
Preview
| Coordinates | 4324181.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H36 Cl2 N12 O4 Pd S2 |
|---|---|
| Calculated formula | C24 H36 Cl2 N12 O4 Pd S2 |
| Title of publication | Using Pyridinyl-Substituted Diaminotriazines to Bind Pd(II) and Create Metallotectons for Engineering Hydrogen-Bonded Crystals |
| Authors of publication | Adam Duong; Thierry Maris; James D. Wuest |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2011 |
| Journal volume | 50 |
| Pages of publication | 5605 - 5618 |
| a | 6.125 ± 0.0008 Å |
| b | 9.7568 ± 0.0013 Å |
| c | 15.6448 ± 0.0018 Å |
| α | 105.458 ± 0.006° |
| β | 96.393 ± 0.006° |
| γ | 97.755 ± 0.007° |
| Cell volume | 882.2 ± 0.2 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 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 | 0.0533 |
| Residual factor for significantly intense reflections | 0.0491 |
| Weighted residual factors for significantly intense reflections | 0.134 |
| Weighted residual factors for all reflections included in the refinement | 0.1377 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
4324181.cif |
| 179344 | 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 4/32/41. |
4324181.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4324181.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4324181.cif |
| 33332 | 2012-02-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4324180, 4324181, 4324182, 4324183, 4324184, 4324185, 4324186, 4324187, 4324188 via cif-deposit CGI script. |
4324181.cif |
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Users of the data should acknowledge the original authors of the
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