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Information card for entry 7708083
Preview
| Coordinates | 7708083.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H18 Cu F4 N2 O5 |
|---|---|
| Calculated formula | C24 H18 Cu F4 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 | 16.0191 ± 0.0007 Å |
| b | 6.1375 ± 0.0003 Å |
| c | 23.929 ± 0.0011 Å |
| α | 90° |
| β | 92.11 ± 0.003° |
| γ | 90° |
| Cell volume | 2351.04 ± 0.19 Å3 |
| Cell temperature | 300 K |
| Ambient diffraction temperature | 300 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0599 |
| Residual factor for significantly intense reflections | 0.048 |
| Weighted residual factors for significantly intense reflections | 0.1279 |
| Weighted residual factors for all reflections included in the refinement | 0.1378 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
| 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. |
7708083.cif |
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Users of the data should acknowledge the original authors of the
structural data.