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Information card for entry 7226819
Preview
| Coordinates | 7226819.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C60 H118 Co5 N6 O20 |
|---|---|
| Calculated formula | C60 H98 Co5 N6 O20 |
| Title of publication | {Co(II/III)5} horseshoe and {Ni(II)4} lacunary cubane coordination clusters: the isobutyrate/N-butyldiethanolamine reaction system |
| Authors of publication | Schmitz, Sebastian; Monakhov, Kirill; van Leusen, Jan; Izarova, Natalya V.; Heß, Volkmar; Kögerler, Paul |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 15.2428 ± 0.0004 Å |
| b | 16.714 ± 0.0003 Å |
| c | 16.7757 ± 0.0004 Å |
| α | 96.7233 ± 0.0018° |
| β | 99.379 ± 0.002° |
| γ | 113.656 ± 0.002° |
| Cell volume | 3782.91 ± 0.17 Å3 |
| Cell temperature | 119.9 ± 0.14 K |
| Ambient diffraction temperature | 120 ± 0.1 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 | 0.1033 |
| Residual factor for significantly intense reflections | 0.0604 |
| Weighted residual factors for significantly intense reflections | 0.1355 |
| Weighted residual factors for all reflections included in the refinement | 0.1607 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 187391 (current) | 2016-10-18 | cif/ Adding structures of 7226819, 7226820 via cif-deposit CGI script. |
7226819.cif |
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Users of the data should acknowledge the original authors of the
structural data.