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Information card for entry 1544631
Preview
| Coordinates | 1544631.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C226 H267 B20 F16 Fe8 N65 O48 Pd2 |
|---|---|
| Calculated formula | C226 H267 B20 F16 Fe8 N65 O48 Pd2 |
| Title of publication | PdII2L4-type coordination cages up to three nanometers in size |
| Authors of publication | Jansze, Suzanne M.; Wise, Matthew D.; Vologzhanina, Anna V.; Scopelliti, Rosario; Severin, Kay |
| Journal of publication | Chem. Sci. |
| Year of publication | 2017 |
| Journal volume | 8 |
| Journal issue | 3 |
| Pages of publication | 1901 |
| a | 20.2193 ± 0.0012 Å |
| b | 20.6255 ± 0.0011 Å |
| c | 21.5175 ± 0.0012 Å |
| α | 63.61 ± 0.005° |
| β | 76.958 ± 0.005° |
| γ | 85.618 ± 0.005° |
| Cell volume | 7828.1 ± 0.9 Å3 |
| Cell temperature | 140 ± 0.1 K |
| Ambient diffraction temperature | 140 ± 0.1 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 | 0.1212 |
| Residual factor for significantly intense reflections | 0.0958 |
| Weighted residual factors for significantly intense reflections | 0.2057 |
| Weighted residual factors for all reflections included in the refinement | 0.222 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.999 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 193752 (current) | 2017-03-05 | cif/ Updating files of 1544629, 1544630, 1544631, 1544632, 1544633, 1544634, 1544635 Original log message: Adding full bibliography for 1544629--1544635.cif. |
1544631.cif |
| 188583 | 2016-11-19 | cif/ Adding structures of 1544629, 1544630, 1544631, 1544632, 1544633, 1544634, 1544635 via cif-deposit CGI script. |
1544631.cif |
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Users of the data should acknowledge the original authors of the
structural data.