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Information card for entry 4322353
Preview
| Coordinates | 4322353.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C44 H86 B2 Li2 N4 O4 P2 Si |
|---|---|
| Calculated formula | C44 H86 B2 Li2 N4 O4 P2 Si |
| SMILES | [P]12(B(N(C(C)C)C(C)C)N(C(C)C)C(C)C)[Si]([P](B(N(C(C)C)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 |
| 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 | 11.071 ± 0.002 Å |
| b | 14.937 ± 0.003 Å |
| c | 18.08 ± 0.004 Å |
| α | 91.31 ± 0.03° |
| β | 101.23 ± 0.03° |
| γ | 109.95 ± 0.03° |
| Cell volume | 2743.7 ± 1.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.097 |
| Residual factor for significantly intense reflections | 0.0447 |
| Weighted residual factors for significantly intense reflections | 0.0936 |
| Weighted residual factors for all reflections included in the refinement | 0.1059 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
| 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. |
4322353.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. |
4322353.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4322353.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4322353.cif |
| 20624 | 2011-06-12 | ../uploads/cif-deposit/cod/cif Adding structures of 4322353 via cif-deposit CGI script. |
4322353.cif |
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