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Information card for entry 4506574
Preview
| Coordinates | 4506574.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C40 H38 Cl12 N2 O4 P2 |
|---|---|
| Calculated formula | C40 H38 Cl12 N2 O4 P2 |
| SMILES | c1ccccc1P(=O)(c1ccccc1)CCNC(=O)c1ccc(C(=O)NCCP(=O)(c2ccccc2)c2ccccc2)cc1.C(Cl)(Cl)Cl.ClC(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl |
| Title of publication | A Diphosphine Ligand with Amide Functionality and Its Complexes with Gold(I) and Silver(I): Self-Assembly of Sheet Structures |
| Authors of publication | Nasser, Nasser; Puddephatt, Richard J. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2012 |
| Journal volume | 12 |
| Journal issue | 8 |
| Pages of publication | 4275 |
| a | 8.5642 ± 0.001 Å |
| b | 12.1117 ± 0.0015 Å |
| c | 14.031 ± 0.002 Å |
| α | 109.464 ± 0.004° |
| β | 101.095 ± 0.004° |
| γ | 105.262 ± 0.003° |
| Cell volume | 1259.5 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.1382 |
| Residual factor for significantly intense reflections | 0.095 |
| Weighted residual factors for significantly intense reflections | 0.229 |
| Weighted residual factors for all reflections included in the refinement | 0.2587 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301842 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/50/ Each referenced PubChem compound corresponds to the full crystal structure. |
4506574.cif |
| 179601 | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/65. |
4506574.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4506574.cif |
| 66223 | 2012-09-09 | cif/ Adding structures of 4506570, 4506571, 4506572, 4506573, 4506574 via cif-deposit CGI script. |
4506574.cif |
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Users of the data should acknowledge the original authors of the
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