Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4125009
Preview
| Coordinates | 4125009.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | [Sn{B(NArCH)2}(NH2)]2 |
|---|---|
| Formula | C52 H75 B2 N6 Sn2 |
| Calculated formula | C52 H75 B2 N6 Sn2 |
| 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 | 14.0818 ± 0.0003 Å |
| b | 12.3113 ± 0.0002 Å |
| c | 15.8745 ± 0.0002 Å |
| α | 90° |
| β | 99.2666 ± 0.0015° |
| γ | 90° |
| Cell volume | 2716.17 ± 0.08 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 | 0.0232 |
| Residual factor for significantly intense reflections | 0.0223 |
| Weighted residual factors for all reflections | 0.0236 |
| Weighted residual factors for significantly intense reflections | 0.0233 |
| Weighted residual factors for all reflections included in the refinement | 0.0231 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0475 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301834 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
4125009.cif |
| 182495 | 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. |
4125009.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. |
4125009.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.