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Information card for entry 4075913
Preview
| Coordinates | 4075913.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H25 Ge O2 P Se2 |
|---|---|
| Calculated formula | C22 H25 Ge O2 P Se2 |
| SMILES | [Ge]([Se]P(=[Se])(OCC)OCC)(c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Syntheses, Structures, and VT NMR Studies of Diselenophosphates of Group 14 Organometals. DFT Calculations for Gas-Phase Stability of Dinuclear Ions, [(Ph3M)2{μ-Se, Se-P(OR)2}]+(M = Ge, Sn, and Pb) |
| Authors of publication | Liu, C. W.; Lobana, Tarlok S.; Xiao, Jie-Liang; Liu, Hong-Yuan; Liaw, Ben-Jie; Hung, Chiu-Ming; Lin, Zhenyang |
| Journal of publication | Organometallics |
| Year of publication | 2005 |
| Journal volume | 24 |
| Journal issue | 16 |
| Pages of publication | 4072 |
| a | 9.3288 ± 0.001 Å |
| b | 10.7266 ± 0.0008 Å |
| c | 12.8123 ± 0.001 Å |
| α | 103.002 ± 0.006° |
| β | 99.34 ± 0.007° |
| γ | 99.322 ± 0.007° |
| Cell volume | 1206.09 ± 0.19 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0555 |
| Residual factor for significantly intense reflections | 0.0407 |
| Weighted residual factors for significantly intense reflections | 0.1028 |
| Weighted residual factors for all reflections included in the refinement | 0.1129 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301830 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/07/ Each referenced PubChem compound corresponds to the full crystal structure. |
4075913.cif |
| 178648 | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/59. |
4075913.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4075913.cif |
| 50742 | 2012-03-31 | ../uploads/cif-deposit/cod/cif Adding structures of 4075913, 4075914, 4075915, 4075916 via cif-deposit CGI script. |
4075913.cif |
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