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Information card for entry 7231030
Preview
| Coordinates | 7231030.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [hexakis(isonicotinoyl)cyclotricatechylene] tris(trifluoroacetate)(isoniconinate)dicopper(II) |
|---|---|
| Formula | C69 H40 Cu2 F9 N7 O20 |
| Calculated formula | C69 H40 Cu2 F9 N7 O20 |
| Title of publication | 2D networks of metallo-capsules and other coordination polymers from a hexapodal ligand |
| Authors of publication | Thorp-Greenwood, Flora L.; Berry, Gilberte Therese; Boyadjieva, Sophia S.; Oldknow, Samuel; Hardie, Michaele J. |
| Journal of publication | CrystEngComm |
| Year of publication | 2018 |
| Journal volume | 20 |
| Journal issue | 28 |
| Pages of publication | 3960 |
| a | 18.1806 ± 0.0011 Å |
| b | 18.4809 ± 0.0011 Å |
| c | 19.4599 ± 0.0013 Å |
| α | 103.319 ± 0.006° |
| β | 109.243 ± 0.006° |
| γ | 103.091 ± 0.005° |
| Cell volume | 5672.3 ± 0.7 Å3 |
| Cell temperature | 100.01 ± 0.1 K |
| Ambient diffraction temperature | 100.01 ± 0.1 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 | 0.1792 |
| Residual factor for significantly intense reflections | 0.1249 |
| Weighted residual factors for significantly intense reflections | 0.3474 |
| Weighted residual factors for all reflections included in the refinement | 0.3868 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 228882 (current) | 2019-11-17 | cif/ Updating files of 7231022, 7231023, 7231024, 7231025, 7231026, 7231027, 7231028, 7231029, 7231030 Original log message: Adding full bibliography for 7231022--7231030.cif. |
7231030.cif |
| 208639 | 2018-06-26 | cif/ Adding structures of 7231022, 7231023, 7231024, 7231025, 7231026, 7231027, 7231028, 7231029, 7231030 via cif-deposit CGI script. |
7231030.cif |
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Users of the data should acknowledge the original authors of the
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