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Information card for entry 4081595
Preview
| Coordinates | 4081595.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C38 H47 As I2 N2 P2 Si2 |
|---|---|
| Calculated formula | C38 H47 As I2 N2 P2 Si2 |
| SMILES | [As]2(I)(I)[N]([Si](C)(C)C)=P(c1ccccc1)(c1ccccc1)C2=P(N[Si](C)(C)C)(c1ccccc1)c1ccccc1.c1(ccccc1)C |
| Title of publication | CH–NH Tautomerism in the Products of the Reactions of the Methanide [HC(PPh2NSiMe3)2]−with Pnictogen and Tellurium Iodides |
| Authors of publication | Thirumoorthi, Ramalingam; Chivers, Tristram; Gendy, Chris; Vargas-Baca, Ignacio |
| Journal of publication | Organometallics |
| Year of publication | 2013 |
| Journal volume | 32 |
| Journal issue | 19 |
| Pages of publication | 5360 |
| a | 9.745 ± 0.0002 Å |
| b | 11.332 ± 0.0003 Å |
| c | 19.828 ± 0.0005 Å |
| α | 78.493 ± 0.001° |
| β | 80.071 ± 0.001° |
| γ | 76.393 ± 0.001° |
| Cell volume | 2067.2 ± 0.09 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.052 |
| Residual factor for significantly intense reflections | 0.0428 |
| Weighted residual factors for significantly intense reflections | 0.0845 |
| Weighted residual factors for all reflections included in the refinement | 0.0894 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301831 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure. |
4081595.cif |
| 178704 | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/15. |
4081595.cif |
| 89767 | 2013-11-10 | cif/ Adding structures of 4081595, 4081596, 4081597, 4081598, 4081599, 4081600, 4081601, 4081602, 4081603 via cif-deposit CGI script. |
4081595.cif |
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Users of the data should acknowledge the original authors of the
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