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Information card for entry 4134203
Preview
| Coordinates | 4134203.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C88 H85 F20 N10 O6.5 Si2 |
|---|---|
| Calculated formula | C88 H85 F20 N10 O6.5 Si2 |
| Title of publication | Bis-Metal Complexes of Doubly N-Confused Dioxohexaphyrins as Potential Near Infrared-II Photoacoustic Dyes. |
| Authors of publication | Shimomura, Keito; Kai, Hiroto; Nakamura, Yuma; Hong, Yongseok; Mori, Shigeki; Miki, Koji; Ohe, Kouichi; Notsuka, Yusuke; Yamaoka, Yoshihisa; Ishida, Masatoshi; Kim, Dongho; Furuta, Hiroyuki |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2020 |
| a | 25.2251 ± 0.0014 Å |
| b | 25.2251 ± 0.0014 Å |
| c | 32.2322 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 20509.5 ± 1.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 120 |
| Hermann-Mauguin space group symbol | I -4 c 2 |
| Hall space group symbol | I -4 -2c |
| Residual factor for all reflections | 0.1151 |
| Residual factor for significantly intense reflections | 0.0922 |
| Weighted residual factors for significantly intense reflections | 0.2069 |
| Weighted residual factors for all reflections included in the refinement | 0.2173 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.227 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 248295 (current) | 2020-02-20 | cif/ Adding structures of 4134203 via cif-deposit CGI script. |
4134203.cif |
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