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Information card for entry 4075547
Preview
| Coordinates | 4075547.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H36 F6 N O P |
|---|---|
| Calculated formula | C22 H36 F6 N O P |
| SMILES | P(=NC12CC3CC(C1)CC(C2)C3)(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 | 8.5623 ± 0.0013 Å |
| b | 16.439 ± 0.003 Å |
| c | 16.93 ± 0.003 Å |
| α | 90° |
| β | 98.101 ± 0.002° |
| γ | 90° |
| Cell volume | 2359.2 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0669 |
| Residual factor for significantly intense reflections | 0.0467 |
| Weighted residual factors for significantly intense reflections | 0.116 |
| Weighted residual factors for all reflections included in the refinement | 0.129 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
4075547.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. |
4075547.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4075547.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. |
4075547.cif |
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Users of the data should acknowledge the original authors of the
structural data.