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Information card for entry 7708082
Preview
| Coordinates | 7708082.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H20 Cu F2 N2 O5 |
|---|---|
| Calculated formula | C24 H20 Cu F2 N2 O5 |
| Title of publication | Dipole Fluctuation and Structural Phase Transition in Hydrogen-Bonding Molecular Assemblies of Mononuclear CuII Complexes with Polar Fluorobenzoate Ligands |
| Authors of publication | Takahashi, Kiyonori; Miyazaki, Yuji; Noro, Shin-ichiro; Nakano, Motohiro; Nakamura, Takayoshi; Akutagawa, Tomoyuki |
| Journal of publication | Dalton Transactions |
| Year of publication | 2021 |
| a | 15.7319 ± 0.0006 Å |
| b | 46.3383 ± 0.0014 Å |
| c | 6.1947 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4515.9 ± 0.3 Å3 |
| Cell temperature | 250 K |
| Ambient diffraction temperature | 250 K |
| Number of distinct elements | 6 |
| Space group number | 43 |
| Hermann-Mauguin space group symbol | F d d 2 |
| Hall space group symbol | F 2 -2d |
| Residual factor for all reflections | 0.0423 |
| Residual factor for significantly intense reflections | 0.0395 |
| Weighted residual factors for significantly intense reflections | 0.1022 |
| Weighted residual factors for all reflections included in the refinement | 0.1077 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.95 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 268130 (current) | 2021-08-19 | cif/ Adding structures of 7708082, 7708083, 7708084, 7708085, 7708086 via cif-deposit CGI script. |
7708082.cif |
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Users of the data should acknowledge the original authors of the
structural data.