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Information card for entry 7045108
Preview
| Coordinates | 7045108.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C53 H50 Ag2 F12 N4 O P4 |
|---|---|
| Calculated formula | C53 H50 Ag2 F12 N4 O P4 |
| SMILES | [Ag]12([n]3c(c4[n]2c(C)ccc4)cccc3C)([P](c2ccccc2)(C#C[P]([Ag]2[n]3c(c4[n]2c(ccc4)C)cccc3C)(c2ccccc2)c2ccccc2)c2ccccc2)[F][P](F)(F)(F)(F)[F]1.[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 | 11.4217 ± 0.0007 Å |
| b | 15.4399 ± 0.001 Å |
| c | 16.5048 ± 0.001 Å |
| α | 90.991 ± 0.002° |
| β | 107.581 ± 0.002° |
| γ | 101.888 ± 0.002° |
| Cell volume | 2705.3 ± 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 | 0.0366 |
| Residual factor for significantly intense reflections | 0.035 |
| Weighted residual factors for all reflections | 0.081 |
| Weighted residual factors for significantly intense reflections | 0.0806 |
| Weighted residual factors for all reflections included in the refinement | 0.081 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9224 |
| 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. |
7045108.cif |
| 230068 | 2019-11-17 | cif/ Updating files of 7045108, 7045109, 7045110 Original log message: Adding full bibliography for 7045108--7045110.cif. |
7045108.cif |
| 204436 | 2017-12-21 | cif/ Adding structures of 7045108, 7045109, 7045110 via cif-deposit CGI script. |
7045108.cif |
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