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Information card for entry 4106945
Preview
| Coordinates | 4106945.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C42 H77 Ge N5 P2 Si |
|---|---|
| Calculated formula | C42 H77 Ge N5 P2 Si |
| SMILES | [Si]1(N(C(C)(C)C)P3(N1C(C)(C)C)=C([Ge]N(C1=C3[C@@H]2CC[C@H]1C2)c1c(cccc1C(C)C)C(C)C)P(N(C(C)C)C(C)C)N(C(C)C)C(C)C)(C)C.[Si]1(N(C(C)(C)C)P3(N1C(C)(C)C)=C([Ge]N(C1=C3[C@H]2CC[C@@H]1C2)c1c(cccc1C(C)C)C(C)C)P(N(C(C)C)C(C)C)N(C(C)C)C(C)C)(C)C |
| Title of publication | Synthesis and Reactivity of a Phosphine-Stabilized Monogermanium Analogue of Alkynes |
| Authors of publication | Juliette Berthe; Juan Manuel Garcia; Edgar Ocando; Tsuyoshi Kato; Nathalie Saffon-Merceron; Abel De Cózar; Fernando P. Cossío; Antoine Baceiredo |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2011 |
| Journal volume | 133 |
| Pages of publication | 15930 - 15933 |
| a | 12.0149 ± 0.0004 Å |
| b | 13.333 ± 0.0005 Å |
| c | 28.4929 ± 0.0009 Å |
| α | 90° |
| β | 95.319 ± 0.001° |
| γ | 90° |
| Cell volume | 4544.8 ± 0.3 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.055 |
| Residual factor for significantly intense reflections | 0.037 |
| Weighted residual factors for significantly intense reflections | 0.0887 |
| Weighted residual factors for all reflections included in the refinement | 0.0954 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301832 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/10/ Each referenced PubChem compound corresponds to the full crystal structure. |
4106945.cif |
| 178815 | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/69. |
4106945.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4106945.cif |
| 54459 | 2012-04-26 | cif/ Adding structures of 4106945 via cif-deposit CGI script. |
4106945.cif |
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Users of the data should acknowledge the original authors of the
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