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Information card for entry 4519013
Preview
| Coordinates | 4519013.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H38 F6 Fe2 N O4 S2 |
|---|---|
| Calculated formula | C32 H38 F6 Fe2 N O4 S2 |
| Title of publication | Anion-Ordering Phase Transitions in Biferrocenium and Ferrocenium Salts with the Bis(trifluoromethanesulfonyl)amide Anion. |
| Authors of publication | Kimata, Hironori; Inagaki, Takashi; Mochida, Tomoyuki |
| Journal of publication | ACS omega |
| Year of publication | 2021 |
| Journal volume | 6 |
| Journal issue | 32 |
| Pages of publication | 21139 - 21146 |
| a | 10.5371 ± 0.0005 Å |
| b | 23.5057 ± 0.0012 Å |
| c | 14.5393 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3601.1 ± 0.3 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 64 |
| Hermann-Mauguin space group symbol | C m c e |
| Hall space group symbol | -C 2ac 2 |
| Residual factor for all reflections | 0.0702 |
| Residual factor for significantly intense reflections | 0.0634 |
| Weighted residual factors for significantly intense reflections | 0.1945 |
| Weighted residual factors for all reflections included in the refinement | 0.2055 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 268438 (current) | 2021-09-03 | cif/ Adding structures of 4519013 via cif-deposit CGI script. |
4519013.cif |
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