Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4322355
Preview
| Coordinates | 4322355.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C44 H94 B2 Li2 N4 O4 P2 Si5 |
|---|---|
| Calculated formula | C44 H94 B2 Li2 N4 O4 P2 Si5 |
| SMILES | [P]12([Si]([P](B(N([Si](C)(C)C)[Si](C)(C)C)N(C(C)C)C(C)C)([Li]31[O](C)CC[O]3C)[Li]12[O](C)CC[O]1C)(c1ccccc1)c1ccccc1)B(N([Si](C)(C)C)[Si](C)(C)C)N(C(C)C)C(C)C |
| Title of publication | Synthesis and Chemistry of Bis(borylphosphino)silanes and -germanes |
| Authors of publication | Tuqiang Chen; Eileen N. Duesler; Robert T. Paine; Heinrich Nöth |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 1999 |
| Journal volume | 38 |
| Pages of publication | 4993 - 4999 |
| a | 11.939 ± 0.002 Å |
| b | 24.516 ± 0.003 Å |
| c | 21.572 ± 0.003 Å |
| α | 90° |
| β | 101.52 ± 0.01° |
| γ | 90° |
| Cell volume | 6186.9 ± 1.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 8 |
| 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 | 0.1273 |
| Residual factor for significantly intense reflections | 0.0377 |
| Weighted residual factors for significantly intense reflections | 0.0856 |
| Weighted residual factors for all reflections included in the refinement | 0.132 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301838 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure. |
4322355.cif |
| 179326 | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/23. |
4322355.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4322355.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4322355.cif |
| 20626 | 2011-06-12 | ../uploads/cif-deposit/cod/cif Adding structures of 4322355 via cif-deposit CGI script. |
4322355.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.