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Information card for entry 7019629
Preview
| Coordinates | 7019629.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C59 H62 Ag2 Cl6 N4 O17 P4 |
|---|---|
| Calculated formula | C59 H62 Ag2 Cl6 N4 O17 P4 |
| SMILES | [Ag]1([P](CN2CC[N+](=C2)C[P]([Ag]([P](CN2CC[N+](=C2)C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)OCl(=O)(=O)=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)OCl(=O)(=O)=O.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].C(Cl)Cl.O |
| Title of publication | Formation of N-heterocyclic diphosphine ligands from Ag(i)-assisted condensation reactions between bdppeda and formaldehyde and their binuclear silver(i) complexes. |
| Authors of publication | Sun, Sha; Ren, Zhi-Gang; Yang, Ju-Hua; He, Run-Tian; Wang, Fan; Wu, Xin-Yi; Gong, Wei-Jie; Li, Hong-Xi; Lang, Jian-Ping |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2012 |
| Journal volume | 41 |
| Journal issue | 27 |
| Pages of publication | 8447 - 8454 |
| a | 24.496 ± 0.005 Å |
| b | 15.496 ± 0.003 Å |
| c | 19.454 ± 0.004 Å |
| α | 90° |
| β | 112.31 ± 0.03° |
| γ | 90° |
| Cell volume | 6832 ± 3 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.159 |
| Residual factor for significantly intense reflections | 0.115 |
| Weighted residual factors for significantly intense reflections | 0.1837 |
| Weighted residual factors for all reflections included in the refinement | 0.2029 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.232 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301847 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/01/ Each referenced PubChem compound corresponds to the full crystal structure. |
7019629.cif |
| 179900 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/96. |
7019629.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7019629.cif |
| 62928 | 2012-07-09 | cif/ Adding structures of 7019629, 7019630, 7019631 via cif-deposit CGI script. |
7019629.cif |
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