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Information card for entry 4125015
Preview
| Coordinates | 4125015.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C47 H72 B N3 Si Sn |
|---|---|
| Calculated formula | C47 H72 B N3 Si Sn |
| SMILES | [Sn]1(N(c2c(cccc2C(C)C)C(C)C)[Si](C)(C)C)(CC(=C(C1)C)C)B1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C |
| Title of publication | Enabling and Probing Oxidative Addition and Reductive Elimination at a Group 14 Metal Center: Cleavage and Functionalization of E-H Bonds by a Bis(boryl)stannylene. |
| Authors of publication | Protchenko, Andrey V.; Bates, Joshua I.; Saleh, Liban M. A.; Blake, Matthew P.; Schwarz, Andrew D.; Kolychev, Eugene L.; Thompson, Amber L.; Jones, Cameron; Mountford, Philip; Aldridge, Simon |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2016 |
| Journal volume | 138 |
| Journal issue | 13 |
| Pages of publication | 4555 - 4564 |
| a | 11.3662 ± 0.0001 Å |
| b | 19.9462 ± 0.0002 Å |
| c | 20.7654 ± 0.0003 Å |
| α | 90° |
| β | 91.3439 ± 0.001° |
| γ | 90° |
| Cell volume | 4706.48 ± 0.09 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0489 |
| Residual factor for significantly intense reflections | 0.0483 |
| Weighted residual factors for all reflections | 0.0518 |
| Weighted residual factors for significantly intense reflections | 0.0515 |
| Weighted residual factors for all reflections included in the refinement | 0.0514 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0186 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 182495 (current) | 2016-05-04 | cif/ Updating files of 4125002, 4125003, 4125004, 4125005, 4125006, 4125007, 4125008, 4125009, 4125010, 4125011, 4125012, 4125013, 4125014, 4125015 Original log message: Adding full bibliography for 4125002--4125015.cif. |
4125015.cif |
| 180570 | 2016-03-29 | cif/ Adding structures of 4125002, 4125003, 4125004, 4125005, 4125006, 4125007, 4125008, 4125009, 4125010, 4125011, 4125012, 4125013, 4125014, 4125015 via cif-deposit CGI script. |
4125015.cif |
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Users of the data should acknowledge the original authors of the
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