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Information card for entry 4125006
Preview
| Coordinates | 4125006.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Sn{B(NArCH)2}2(H)(BH2NMe3) |
|---|---|
| Formula | C55 H84 B3 N5 Sn |
| Calculated formula | C55 H84 B3 N5 Sn |
| SMILES | [SnH](B1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)(B1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)[BH2][N](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 | 14.136 ± 0.0002 Å |
| b | 16.8914 ± 0.0002 Å |
| c | 25.9133 ± 0.0004 Å |
| α | 90° |
| β | 99.1667 ± 0.0012° |
| γ | 90° |
| Cell volume | 6108.48 ± 0.15 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.043 |
| Residual factor for significantly intense reflections | 0.0412 |
| Weighted residual factors for all reflections | 0.0505 |
| Weighted residual factors for significantly intense reflections | 0.0492 |
| Weighted residual factors for all reflections included in the refinement | 0.0488 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0796 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
4125006.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. |
4125006.cif |
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Users of the data should acknowledge the original authors of the
structural data.