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Information card for entry 4131439
Preview
| Coordinates | 4131439.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C97 H93 Cl6 N11 O14 |
|---|---|
| Calculated formula | C97 H93 Cl6 N11 O14 |
| Title of publication | Attachment of a Ru<sup>II</sup> Complex to a Self-Folding Hexaamide Deep Cavitand. |
| Authors of publication | Korom, Saša; Ballester, Pablo |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| Journal volume | 139 |
| Journal issue | 35 |
| Pages of publication | 12109 - 12112 |
| a | 15.653 ± 0.0014 Å |
| b | 16.8518 ± 0.0017 Å |
| c | 21.323 ± 0.003 Å |
| α | 97.556 ± 0.004° |
| β | 101.633 ± 0.004° |
| γ | 117.144 ± 0.003° |
| Cell volume | 4738.4 ± 0.9 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1543 |
| Residual factor for significantly intense reflections | 0.1114 |
| Weighted residual factors for significantly intense reflections | 0.3108 |
| Weighted residual factors for all reflections included in the refinement | 0.3323 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.962 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 241637 (current) | 2019-11-25 | cif/ Adding structures of 4131439 via cif-deposit CGI script. |
4131439.cif |
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Users of the data should acknowledge the original authors of the
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