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Information card for entry 7222349
Preview
| Coordinates | 7222349.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | work |
|---|---|
| Formula | C36 H43 Ag2 B2 F8 N9 |
| Calculated formula | C36 H43 Ag2 B2 F8 N9 |
| SMILES | [Ag]1[n]2cn(cc2)Cc2c(c(c(cc2C)C)Cn2c[n]([Ag][n]3cn(cc3)Cc3c(c(c(cc3C)C)Cn3c[n]1cc3)C)cc2)C.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].N#CC |
| Title of publication | Solvent diffusion through a non-porous crystal ‘caught in the act’ and related single-crystal-to-single-crystal transformations in a cationic dinuclear Ag(i) complex |
| Authors of publication | Alen, Jo; Van Meervelt, Luc; Dehaen, Wim; Dobrzańska, Liliana |
| Journal of publication | CrystEngComm |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 46 |
| Pages of publication | 8957 |
| a | 10.1464 ± 0.0011 Å |
| b | 14.2825 ± 0.0014 Å |
| c | 15.3309 ± 0.0017 Å |
| α | 111.046 ± 0.01° |
| β | 97.101 ± 0.009° |
| γ | 101.812 ± 0.009° |
| Cell volume | 1981.8 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.1015 |
| Residual factor for significantly intense reflections | 0.0575 |
| Weighted residual factors for significantly intense reflections | 0.1281 |
| Weighted residual factors for all reflections included in the refinement | 0.1592 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7222349.cif |
| 173736 | 2016-01-09 | cif/ Updating files of 7222347, 7222348, 7222349, 7222350, 7222351, 7222352 Original log message: Adding full bibliography for 7222347--7222352.cif. |
7222349.cif |
| 159041 | 2015-09-30 | cif/ Adding structures of 7222347, 7222348, 7222349, 7222350, 7222351, 7222352 via cif-deposit CGI script. |
7222349.cif |
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Users of the data should acknowledge the original authors of the
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