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Information card for entry 4131438
Preview
| Coordinates | 4131438.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C586 H580 Cl18 N66 O100.2 Ru6 |
|---|---|
| Calculated formula | C586 H580 Cl18 N66 O100.2 Ru6 |
| 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 | 67.017 ± 0.003 Å |
| b | 31.4138 ± 0.0015 Å |
| c | 32.1376 ± 0.0017 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 67658 ± 6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.1581 |
| Residual factor for significantly intense reflections | 0.1203 |
| Weighted residual factors for significantly intense reflections | 0.3444 |
| Weighted residual factors for all reflections included in the refinement | 0.3671 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.306 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 241636 (current) | 2019-11-25 | cif/ Adding structures of 4131438 via cif-deposit CGI script. |
4131438.cif |
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Users of the data should acknowledge the original authors of the
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