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Information card for entry 4123418
Preview
| Coordinates | 4123418.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C236 H176 F48 N8 O P8 |
|---|---|
| Calculated formula | C236 H176 F48 N8 O P8 |
| Title of publication | Semiconducting single crystals comprising segregated arrays of complexes of c60. |
| Authors of publication | Barnes, Jonathan C.; Dale, Edward J.; Prokofjevs, Aleksandrs; Narayanan, Ashwin; Gibbs-Hall, Ian C; Juríček, Michal; Stern, Charlotte L.; Sarjeant, Amy A.; Botros, Youssry Y.; Stupp, Samuel I.; Stoddart, J. Fraser |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2015 |
| Journal volume | 137 |
| Journal issue | 6 |
| Pages of publication | 2392 - 2399 |
| a | 23.0809 ± 0.0005 Å |
| b | 23.1311 ± 0.0006 Å |
| c | 38.3125 ± 0.0009 Å |
| α | 90° |
| β | 94.8563 ± 0.0015° |
| γ | 90° |
| Cell volume | 20381.1 ± 0.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 99.99 K |
| Number of distinct elements | 6 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/n 1 |
| Hall space group symbol | -P 2yac |
| Residual factor for all reflections | 0.1376 |
| Residual factor for significantly intense reflections | 0.1038 |
| Weighted residual factors for significantly intense reflections | 0.2819 |
| Weighted residual factors for all reflections included in the refinement | 0.3033 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179036 (current) | 2016-03-22 | cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/34. |
4123418.cif |
| 138238 | 2015-06-05 | cif/ Updating files of 4123417, 4123418, 4123419 Original log message: Adding full bibliography for 4123417--4123419.cif. |
4123418.cif |
| 131603 | 2015-02-10 | cif/ Adding structures of 4123418 via cif-deposit CGI script. |
4123418.cif |
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Users of the data should acknowledge the original authors of the
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