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Information card for entry 4123419
Preview
| Coordinates | 4123419.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C168 H110 F24 N6 O2 P4 |
|---|---|
| Calculated formula | C168 H110 F24 N6 O2 P4 |
| 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 | 17.5692 ± 0.0004 Å |
| b | 19.4448 ± 0.0005 Å |
| c | 20.6 ± 0.0005 Å |
| α | 83.1741 ± 0.0017° |
| β | 65.6972 ± 0.0015° |
| γ | 82.9265 ± 0.0016° |
| Cell volume | 6347 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 99.94 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 | 0.1299 |
| Residual factor for significantly intense reflections | 0.1091 |
| Weighted residual factors for significantly intense reflections | 0.2692 |
| Weighted residual factors for all reflections included in the refinement | 0.2826 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| 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. |
4123419.cif |
| 138238 | 2015-06-05 | cif/ Updating files of 4123417, 4123418, 4123419 Original log message: Adding full bibliography for 4123417--4123419.cif. |
4123419.cif |
| 131604 | 2015-02-10 | cif/ Adding structures of 4123419 via cif-deposit CGI script. |
4123419.cif |
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Users of the data should acknowledge the original authors of the
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