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Information card for entry 7042930
Preview
| Coordinates | 7042930.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C87 H104 Cl4 Cu2 N15 O24 |
|---|---|
| Calculated formula | C87 H104 Cl4 Cu2 N15 O24 |
| Title of publication | Threading of various ‘U’ shaped bidentate axles into a heteroditopic macrocyclic wheel via NiII/ CuII templation |
| Authors of publication | Ghosh, Pradyut; Nandi, Mandira; Santra, Saikat; Akhuli, Bidyut |
| Journal of publication | Dalton Trans. |
| Year of publication | 2017 |
| a | 13.3 ± 0.003 Å |
| b | 18.907 ± 0.004 Å |
| c | 19.051 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4790.6 ± 1.8 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0556 |
| Residual factor for significantly intense reflections | 0.049 |
| Weighted residual factors for significantly intense reflections | 0.1178 |
| Weighted residual factors for all reflections included in the refinement | 0.1215 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 196570 (current) | 2017-05-09 | cif/ Adding structures of 7042930, 7042931, 7042932 via cif-deposit CGI script. |
7042930.cif |
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