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Information card for entry 4513540
Preview
| Coordinates | 4513540.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H11 Ag B F4 N3 O2 S3 |
|---|---|
| Calculated formula | C20 H11 Ag B F4 N3 O2 S3 |
| Title of publication | Not Too Big and Not Too Small: “Goldilocks” Anion Size for Three-Dimensional Metal‒Organic Frameworks Containing Oligothiophene Dinitrile Ligands (C4H2S)n(CN)2(n= 1, 2, 3) Bridging Silver(I) Cations |
| Authors of publication | Andreychuk, Nicholas R.; Allard, Sheena R.; Parent, Shawna L. M.; Assoud, Abdeljalil; MacKinnon, Craig D. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2015 |
| Journal volume | 15 |
| Journal issue | 9 |
| Pages of publication | 4377 |
| a | 10.282 ± 0.003 Å |
| b | 16.864 ± 0.005 Å |
| c | 13.621 ± 0.004 Å |
| α | 90° |
| β | 107.265 ± 0.004° |
| γ | 90° |
| Cell volume | 2255.4 ± 1.1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0505 |
| Residual factor for significantly intense reflections | 0.0377 |
| Weighted residual factors for significantly intense reflections | 0.0709 |
| Weighted residual factors for all reflections included in the refinement | 0.0776 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.184 |
| 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. |
4513540.cif |
| 154589 | 2015-09-06 | cif/ Updating files of 4513539, 4513540, 4513541, 4513542, 4513543, 4513544, 4513545 Original log message: Adding full bibliography for 4513539--4513545.cif. |
4513540.cif |
| 153647 | 2015-08-26 | cif/ Adding structures of 4513539, 4513540, 4513541, 4513542, 4513543, 4513544, 4513545 via cif-deposit CGI script. |
4513540.cif |
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Users of the data should acknowledge the original authors of the
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