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Information card for entry 1561875
Preview
| Coordinates | 1561875.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C70 H73 Br3 F12 Fe N6 O10 P2 |
|---|---|
| Calculated formula | C69.98 H72.94 Br3 F12 Fe N6 O9.99 P1.9999 |
| Title of publication | Solvent-dependent fac/mer-isomerization and self-assembly of triply helical complexes bearing a pivot part |
| Authors of publication | Morozumi, Takuma; Matsuoka, Ryota; Nakamura, Takashi; Nabeshima, Tatsuya |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| a | 13.982 ± 0.003 Å |
| b | 13.982 ± 0.003 Å |
| c | 67.108 ± 0.015 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 11362 ± 4 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.1028 |
| Residual factor for significantly intense reflections | 0.0643 |
| Weighted residual factors for significantly intense reflections | 0.176 |
| Weighted residual factors for all reflections included in the refinement | 0.1997 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 264260 (current) | 2021-04-17 | cif/ Adding structures of 1561875 via cif-deposit CGI script. |
1561875.cif |
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