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Information card for entry 4085469
Preview
| Coordinates | 4085469.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Sn(C(Ph)C(Ph)(B(L)))2 |
|---|---|
| Formula | C80 H92 B2 N4 Sn |
| Calculated formula | C80 H92 B2 N4 Sn |
| SMILES | [Sn](C(=C(/B1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)c1ccccc1)\c1ccccc1)C(=C(/B1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)c1ccccc1)\c1ccccc1 |
| Title of publication | Reactivity of Boryl- and Silyl-Substituted Carbenoids toward Alkynes: Insertion and Cycloaddition Chemistry |
| Authors of publication | Protchenko, Andrey V.; Blake, Matthew P.; Schwarz, Andrew D.; Jones, Cameron; Mountford, Philip; Aldridge, Simon |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 11 |
| Pages of publication | 2126 |
| a | 12.8513 ± 0.00007 Å |
| b | 27.5563 ± 0.00018 Å |
| c | 19.6614 ± 0.00012 Å |
| α | 90° |
| β | 90.0514 ± 0.0005° |
| γ | 90° |
| Cell volume | 6962.77 ± 0.07 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 5 |
| 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 | 0.042 |
| Residual factor for significantly intense reflections | 0.0353 |
| Weighted residual factors for all reflections | 0.0449 |
| Weighted residual factors for significantly intense reflections | 0.0427 |
| Weighted residual factors for all reflections included in the refinement | 0.0421 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.2782 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4085469.cif |
| 141383 | 2015-07-09 | cif/ Updating files of 4085469, 4085470, 4085471, 4085472, 4085473, 4085474 Original log message: Adding full bibliography for 4085469--4085474.cif. |
4085469.cif |
| 131607 | 2015-02-10 | cif/ Adding structures of 4085469, 4085470, 4085471, 4085472, 4085473, 4085474 via cif-deposit CGI script. |
4085469.cif |
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