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Information card for entry 1571510
Preview
| Coordinates | 1571510.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C59 H94 B3 Ca N3 O6 |
|---|---|
| Calculated formula | C59 H94 B3 Ca N3 O6 |
| Title of publication | The borylamino-diborata-allyl anion. |
| Authors of publication | Shere, Henry T. W.; Liu, Han-Ying; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L. |
| Journal of publication | Chemical science |
| Year of publication | 2024 |
| Journal volume | 15 |
| Journal issue | 21 |
| Pages of publication | 7999 - 8007 |
| a | 11.2516 ± 0.0002 Å |
| b | 13.3172 ± 0.0003 Å |
| c | 20.8818 ± 0.0005 Å |
| α | 83.912 ± 0.002° |
| β | 80.949 ± 0.002° |
| γ | 77.803 ± 0.002° |
| Cell volume | 3011.61 ± 0.12 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0475 |
| Residual factor for significantly intense reflections | 0.0402 |
| Weighted residual factors for significantly intense reflections | 0.1008 |
| Weighted residual factors for all reflections included in the refinement | 0.1075 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 292931 (current) | 2024-07-05 | cif/ Updating files of 1571507, 1571508, 1571509, 1571510 Original log message: Adding full bibliography for 1571507--1571510.cif. |
1571510.cif |
| 291420 | 2024-05-01 | cif/ Adding structures of 1571507, 1571508, 1571509, 1571510 via cif-deposit CGI script. |
1571510.cif |
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Users of the data should acknowledge the original authors of the
structural data.