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Information card for entry 7042854
Preview
| Coordinates | 7042854.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C62.25 H45.25 Cu6 F36 N16.75 O4.75 |
|---|---|
| Calculated formula | C48 H12 Cu5 F36 N12 |
| Title of publication | CFA-4 - a fluorinated metal-organic framework with exchangeable interchannel cations |
| Authors of publication | Fritzsche, Julia Christina; Grzywa, Maciej; Denysenko, Dmytro; Bon, Volodymyr; Senkovska, Irena; Kaskel, Stefan; Volkmer, Dirk |
| Journal of publication | Dalton Trans. |
| Year of publication | 2017 |
| a | 23.63 ± 0.005 Å |
| b | 23.63 ± 0.005 Å |
| c | 41.39 ± 0.005 Å |
| α | 90 ± 0.005° |
| β | 90 ± 0.005° |
| γ | 120 ± 0.005° |
| Cell volume | 20015 ± 7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 182 |
| Hermann-Mauguin space group symbol | P 63 2 2 |
| Hall space group symbol | P 6c 2c |
| Residual factor for all reflections | 0.1011 |
| Residual factor for significantly intense reflections | 0.0506 |
| Weighted residual factors for significantly intense reflections | 0.1387 |
| Weighted residual factors for all reflections included in the refinement | 0.1656 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.983 |
| Diffraction radiation wavelength | 0.88561 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 195901 (current) | 2017-05-03 | cif/ Adding structures of 7042853, 7042854 via cif-deposit CGI script. |
7042854.cif |
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