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Information card for entry 4124458
Preview
| Coordinates | 4124458.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C72 H65 B F24 Ge N2 O3 W |
|---|---|
| Calculated formula | C72 H65 B F24 Ge N2 O3 W |
| SMILES | [W]1234([GeH2]=C5N(C=CN5c5c(cccc5C(C)C)C(C)C)c5c(cccc5C(C)C)C(C)C)(C#[O])(C#[O])(C#[O])[c]5([c]1([c]2([c]3([c]45C)C)C)C)C.[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |
| Title of publication | Insertion of a Cationic Metallogermylene into E-H Bonds (E = H, B, Si). |
| Authors of publication | Inomata, Koya; Watanabe, Takahito; Miyazaki, Yoshikazu; Tobita, Hiromi |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2015 |
| Journal volume | 137 |
| Journal issue | 37 |
| Pages of publication | 11935 - 11937 |
| a | 14.915 ± 0.0004 Å |
| b | 18.5815 ± 0.0005 Å |
| c | 27.645 ± 0.0005 Å |
| α | 96.535 ± 0.0005° |
| β | 91.7439 ± 0.0008° |
| γ | 102.01 ± 0.0006° |
| Cell volume | 7433.7 ± 0.3 Å3 |
| Cell temperature | 140 ± 2 K |
| Ambient diffraction temperature | 140 ± 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 | 0.0998 |
| Residual factor for significantly intense reflections | 0.0728 |
| Weighted residual factors for significantly intense reflections | 0.1612 |
| Weighted residual factors for all reflections included in the refinement | 0.1756 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.138 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
4124458.cif |
| 160539 | 2015-10-06 | cif/ Updating files of 4124458, 4124459 Original log message: Adding full bibliography for 4124458--4124459.cif. |
4124458.cif |
| 155830 | 2015-09-10 | cif/ Adding structures of 4124458, 4124459 via cif-deposit CGI script. |
4124458.cif |
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