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Information card for entry 4075541
Preview
| Coordinates | 4075541.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H21 F6 O2 P |
|---|---|
| Calculated formula | C12 H21 F6 O2 P |
| SMILES | P(=O)(CC(O)(C(F)(F)F)C(F)(F)F)(C(C)(C)C)C(C)(C)C |
| Title of publication | Divalent Germanium and Tin Compounds Stabilized by Sterically Bulky P∧O, PO∧O, PS∧O, and PN∧O Ligands: Synthesis and First Insights into Catalytic Application to Polyurethane Systems† |
| Authors of publication | Ionkin, Alex S.; Marshall, William J.; Fish, Brian M. |
| Journal of publication | Organometallics |
| Year of publication | 2006 |
| Journal volume | 25 |
| Journal issue | 17 |
| Pages of publication | 4170 |
| a | 18.8933 ± 0.0007 Å |
| b | 15.6929 ± 0.0016 Å |
| c | 10.9181 ± 0.0017 Å |
| α | 90° |
| β | 104.105 ± 0.004° |
| γ | 90° |
| Cell volume | 3139.5 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0918 |
| Residual factor for significantly intense reflections | 0.0576 |
| Weighted residual factors for significantly intense reflections | 0.1383 |
| Weighted residual factors for all reflections included in the refinement | 0.1499 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation wavelength | 0.7107 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. |
4075541.cif |
| 178644 | 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 4/07/55. |
4075541.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4075541.cif |
| 49302 | 2012-03-27 | ../uploads/cif-deposit/cod/cif Adding structures of 4075539, 4075540, 4075541, 4075542, 4075543, 4075544, 4075545, 4075546, 4075547 via cif-deposit CGI script. |
4075541.cif |
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Users of the data should acknowledge the original authors of the
structural data.