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Information card for entry 7045109
Preview
| Coordinates | 7045109.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C88 H74 Ag2 F12 N6 O2 P6 |
|---|---|
| Calculated formula | C88 H74 Ag2 F12 N6 O2 P6 |
| SMILES | c1(ccccc1)[P]1(C#C[P](c2ccccc2)([Ag]23([n]4c(c5[n]2c(c2[n]3cccc2)ccc5)cccc4)[P](c2ccccc2)(C#C[P]([Ag]231[n]1c(c4[n]2cccc4)cccc1c1[n]3cccc1)(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-].O=C(C)C.[P](F)(F)(F)(F)(F)[F-].O=C(C)C |
| Title of publication | Self-assembly of heteroleptic dinuclear silver(i) complexes bridged by bis(diphenylphosphino)ethyne. |
| Authors of publication | Keller, Sarah; Camenzind, Timothy N.; Abraham, Johannes; Prescimone, Alessandro; Häussinger, Daniel; Constable, Edwin C.; Housecroft, Catherine E. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2018 |
| Journal volume | 47 |
| Journal issue | 3 |
| Pages of publication | 946 - 957 |
| a | 12.1355 ± 0.001 Å |
| b | 12.5994 ± 0.001 Å |
| c | 14.8038 ± 0.0012 Å |
| α | 95.415 ± 0.003° |
| β | 112.162 ± 0.003° |
| γ | 93.696 ± 0.003° |
| Cell volume | 2074.6 ± 0.3 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 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 | 0.0291 |
| Residual factor for significantly intense reflections | 0.0258 |
| Weighted residual factors for all reflections | 0.0316 |
| Weighted residual factors for significantly intense reflections | 0.0283 |
| Weighted residual factors for all reflections included in the refinement | 0.0279 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0823 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301850 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure. |
7045109.cif |
| 230068 | 2019-11-17 | cif/ Updating files of 7045108, 7045109, 7045110 Original log message: Adding full bibliography for 7045108--7045110.cif. |
7045109.cif |
| 204436 | 2017-12-21 | cif/ Adding structures of 7045108, 7045109, 7045110 via cif-deposit CGI script. |
7045109.cif |
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