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Information card for entry 1551478
Preview
| Coordinates | 1551478.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | tris(iso-nicotinoyl)cyclotriguaiacyclene copper bromide |
|---|---|
| Formula | C266 H240 Br12 Cu6 N18 O63 S7 |
| Calculated formula | C266 H240 Br12 Cu6 N18 O63 S7 |
| Title of publication | An infinite chainmail of M6L6 metallacycles featuring multiple Borromean links |
| Authors of publication | Flora L. Thorp-Greenwood; Alexander N. Kulak; Michaele J. Hardie |
| Journal of publication | Nature Chemistry |
| Year of publication | 2015 |
| Journal volume | 7 |
| Pages of publication | 526 - 531 |
| a | 38.1839 ± 0.0002 Å |
| b | 38.1839 ± 0.0002 Å |
| c | 57.9645 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 73190.3 ± 0.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.1369 |
| Residual factor for significantly intense reflections | 0.1302 |
| Weighted residual factors for significantly intense reflections | 0.3568 |
| Weighted residual factors for all reflections included in the refinement | 0.3698 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.808 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216050 (current) | 2019-06-18 | cif/ Adding structures of 1551478 via cif-deposit CGI script. |
1551478.cif |
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