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Information card for entry 1508103
Preview
| Coordinates | 1508103.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C100 H108 Cl F24 N4 O20 P4 S8 |
|---|---|
| Calculated formula | C100 H108 Cl F24 N4 O20 P4 S8 |
| Title of publication | Highly stable tetrathiafulvalene radical dimers in [3]catenanes. |
| Authors of publication | Spruell, Jason M.; Coskun, Ali; Friedman, Douglas C.; Forgan, Ross S.; Sarjeant, Amy A.; Trabolsi, Ali; Fahrenbach, Albert C.; Barin, Gokhan; Paxton, Walter F.; Dey, Sanjeev K.; Olson, Mark A.; Benítez, Diego; Tkatchouk, Ekaterina; Colvin, Michael T.; Carmielli, Raanan; Caldwell, Stuart T.; Rosair, Georgina M.; Hewage, Shanika Gunatilaka; Duclairoir, Florence; Seymour, Jennifer L.; Slawin, Alexandra M. Z.; Goddard, 3rd, William A; Wasielewski, Michael R.; Cooke, Graeme; Stoddart, J. Fraser |
| Journal of publication | Nature chemistry |
| Year of publication | 2010 |
| Journal volume | 2 |
| Journal issue | 10 |
| Pages of publication | 870 - 879 |
| a | 13.4168 ± 0.001 Å |
| b | 37.385 ± 0.003 Å |
| c | 27.8719 ± 0.0017 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 13980.2 ± 1.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 20 |
| Hermann-Mauguin space group symbol | C 2 2 21 |
| Hall space group symbol | C 2c 2 |
| Residual factor for all reflections | 0.1179 |
| Residual factor for significantly intense reflections | 0.0888 |
| Weighted residual factors for significantly intense reflections | 0.2463 |
| Weighted residual factors for all reflections included in the refinement | 0.2673 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1508103.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1508103.cif |
| 62649 | 2012-07-09 | cif/ Adding structures of 1508103 via cif-deposit CGI script. |
1508103.cif |
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Users of the data should acknowledge the original authors of the
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