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Information card for entry 7228001
Preview
| Coordinates | 7228001.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C76 H44 Cl12 N4 O16 Rh4 S4 |
|---|---|
| Calculated formula | C76 H38 Cl12 N4 O16 Rh4 S4 |
| Title of publication | Built-in TTF‒TCNQ charge-transfer salts in π-stacked pillared layer frameworks |
| Authors of publication | Sekine, Yoshihiro; Tonouchi, Masanori; Yokoyama, Taiga; Kosaka, Wataru; Miyasaka, Hitoshi |
| Journal of publication | CrystEngComm |
| Year of publication | 2017 |
| Journal volume | 19 |
| Journal issue | 17 |
| Pages of publication | 2300 |
| a | 10.929 ± 0.002 Å |
| b | 13.658 ± 0.003 Å |
| c | 16.296 ± 0.003 Å |
| α | 71.368 ± 0.009° |
| β | 74.864 ± 0.01° |
| γ | 69.076 ± 0.009° |
| Cell volume | 2123.1 ± 0.7 Å3 |
| Cell temperature | 97 K |
| Ambient diffraction temperature | 97 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0514 |
| Weighted residual factors for all reflections included in the refinement | 0.1398 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 196374 (current) | 2017-05-06 | cif/ Updating files of 7228000, 7228001, 7228002 Original log message: Adding full bibliography for 7228000--7228002.cif. |
7228001.cif |
| 195225 | 2017-04-06 | cif/ Adding structures of 7228000, 7228001, 7228002 via cif-deposit CGI script. |
7228001.cif |
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Users of the data should acknowledge the original authors of the
structural data.