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Information card for entry 4335196
Preview
| Coordinates | 4335196.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C74 H70 Au2 Cl8 N4 O4 P4 |
|---|---|
| Calculated formula | C74 H70 Au2 Cl8 N4 O4 P4 |
| SMILES | C1CNC(=O)c2cccc(C(=O)NCC[P]([Au][P](CCNC(=O)c3cccc(C(=O)NCC[P]([Au][P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)c3)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)c2.[Cl-].C(Cl)(Cl)Cl.[Cl-].C(Cl)(Cl)Cl |
| Title of publication | A Versatile Diphosphine Ligand: cis and trans Chelation or Bridging, with Self Association through Hydrogen Bonding |
| Authors of publication | Nasser Nasser; Aneta Borecki; Paul D. Boyle; Richard J. Puddephatt |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2013 |
| Journal volume | 52 |
| Pages of publication | 7051 - 7060 |
| a | 10.62 ± 0.002 Å |
| b | 13.657 ± 0.003 Å |
| c | 15.445 ± 0.003 Å |
| α | 71.11 ± 0.03° |
| β | 85.43 ± 0.03° |
| γ | 84.12 ± 0.03° |
| Cell volume | 2105.7 ± 0.8 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0424 |
| Residual factor for significantly intense reflections | 0.0377 |
| Weighted residual factors for significantly intense reflections | 0.1007 |
| Weighted residual factors for all reflections included in the refinement | 0.105 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301839 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure. |
4335196.cif |
| 179454 | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/51. |
4335196.cif |
| 101103 | 2014-02-10 | cif/ Adding structures of 4335196 via cif-deposit CGI script. |
4335196.cif |
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Users of the data should acknowledge the original authors of the
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