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Information card for entry 7242955
Preview
| Coordinates | 7242955.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C45 H27 Cu2 F6 N2 O6 |
|---|---|
| Calculated formula | C45 H27 Cu2 F6 N2 O6 |
| Title of publication | Post-synthetic modification of supramolecular assemblies of β-diketonato Cu(ii) complexes: comparing and contrasting the molecular topology by crystal structure and quantum computational studies |
| Authors of publication | Mahesha,; Pampa, K. J.; Karthik, C. S.; Hema, M. K.; Mallu, P.; Lokanath, N. K. |
| Journal of publication | CrystEngComm |
| Year of publication | 2021 |
| Journal volume | 23 |
| Journal issue | 24 |
| Pages of publication | 4344 - 4369 |
| a | 14.155 ± 0.002 Å |
| b | 10.243 ± 0.016 Å |
| c | 14.822 ± 0.002 Å |
| α | 90° |
| β | 114.922 ± 0.015° |
| γ | 90° |
| Cell volume | 1949 ± 3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.158 |
| Residual factor for significantly intense reflections | 0.0891 |
| Weighted residual factors for significantly intense reflections | 0.2046 |
| Weighted residual factors for all reflections included in the refinement | 0.2562 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 267101 (current) | 2021-07-05 | cif/ Updating files of 7242955, 7242956, 7242957 Original log message: Adding full bibliography for 7242955--7242957.cif. |
7242955.cif |
| 265771 | 2021-06-04 | cif/ Adding structures of 7242955, 7242956, 7242957 via cif-deposit CGI script. |
7242955.cif |
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Users of the data should acknowledge the original authors of the
structural data.