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Information card for entry 4349340
Preview
| Coordinates | 4349340.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C82 H92 Mg2 N10 O |
|---|---|
| Calculated formula | C82 H92 Mg2 N10 O |
| Title of publication | Induction and Rationalization of Supramolecular Chirality in the Tweezer-Diamine Complexes: Insights from Experimental and DFT Studies. |
| Authors of publication | Dhamija, Avinash; Ikbal, Sk Asif; Rath, Sankar Prasad |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2016 |
| Journal volume | 55 |
| Journal issue | 24 |
| Pages of publication | 13014 - 13026 |
| a | 13.5777 ± 0.0009 Å |
| b | 14.3089 ± 0.001 Å |
| c | 22.2385 ± 0.0015 Å |
| α | 84.186 ± 0.002° |
| β | 72.658 ± 0.001° |
| γ | 63.291 ± 0.001° |
| Cell volume | 3681.4 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.122 |
| Residual factor for significantly intense reflections | 0.0705 |
| Weighted residual factors for significantly intense reflections | 0.1431 |
| Weighted residual factors for all reflections included in the refinement | 0.1654 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 233872 (current) | 2019-11-23 | cif/ Adding structures of 4349340 via cif-deposit CGI script. |
4349340.cif |
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