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Information card for entry 1518824
Preview
| Coordinates | 1518824.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 05c |
|---|---|
| Formula | C30 H29 Au B Mn N O2 P S |
| Calculated formula | C30 H29 Au B Mn N O2 P S |
| SMILES | [Au]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)[Mn]2345(C#[O])(C#[O])([B]1(C(C)(C)C)N=C=S)[cH]1[cH]2[cH]5[cH]4[cH]31 |
| Title of publication | Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments |
| Authors of publication | Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong |
| Journal of publication | Chem. Sci. |
| Year of publication | 2015 |
| Journal volume | 6 |
| Journal issue | 5 |
| Pages of publication | 2989 |
| a | 13.491 ± 0.002 Å |
| b | 13.559 ± 0.002 Å |
| c | 16.412 ± 0.002 Å |
| α | 90° |
| β | 101.959 ± 0.015° |
| γ | 90° |
| Cell volume | 2937 ± 0.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 9 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.037 |
| Residual factor for significantly intense reflections | 0.03 |
| Weighted residual factors for significantly intense reflections | 0.0662 |
| Weighted residual factors for all reflections included in the refinement | 0.0688 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1518824.cif |
| 138495 | 2015-06-07 | cif/ Updating files of 1518822, 1518823, 1518824, 1518825, 1518826, 1518827, 1518828, 1518829, 1518830, 1518831, 1518832 Original log message: Adding full bibliography for 1518822--1518832.cif. |
1518824.cif |
| 133800 | 2015-03-11 | cif/ Adding structures of 1518822, 1518823, 1518824, 1518825, 1518826, 1518827, 1518828, 1518829, 1518830, 1518831, 1518832 via cif-deposit CGI script. |
1518824.cif |
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Users of the data should acknowledge the original authors of the
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