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Information card for entry 7228597
Preview
| Coordinates | 7228597.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C78 H64 Ag2 B2 Cl8 F4 N8 O8 |
|---|---|
| Calculated formula | C78 H64 Ag2 B2 Cl8 F4 N8 O8 |
| Title of publication | Solvent and anion effects on the organization of a luminescent [2+2] BODIPY/Ag(I) metallamacrocycle in the crystalline state |
| Authors of publication | Zhang, Fan; Baudron, Stéphane; Hosseini, Mir Wais |
| Journal of publication | CrystEngComm |
| Year of publication | 2017 |
| a | 10.2626 ± 0.0005 Å |
| b | 19.2729 ± 0.001 Å |
| c | 21.5355 ± 0.0011 Å |
| α | 112.493 ± 0.002° |
| β | 91.099 ± 0.002° |
| γ | 92.32 ± 0.002° |
| Cell volume | 3929.5 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1646 |
| Residual factor for significantly intense reflections | 0.0631 |
| Weighted residual factors for significantly intense reflections | 0.1677 |
| Weighted residual factors for all reflections included in the refinement | 0.2037 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198226 (current) | 2017-06-29 | cif/ Adding structures of 7228596, 7228597, 7228598, 7228599, 7228600, 7228601 via cif-deposit CGI script. |
7228597.cif |
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Users of the data should acknowledge the original authors of the
structural data.