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Information card for entry 4318455
Preview
| Coordinates | 4318455.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C20 H15 F3 Pb |
|---|---|
| Calculated formula | C20 H15 F3 Pb |
| SMILES | [Pb](C(=C(F)F)F)(c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Spectroscopic and Structural Assignment of the Absolute Stereochemistry in a Series of 1,2-Difluorovinyl Organometalloids. The First Crystallographic Characterization and Structural Series of Group 14 Fluorovinyl Compounds |
| Authors of publication | Alan K. Brisdon; Ian R. Crossley; Robin G. Pritchard; John E. Warren |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2002 |
| Journal volume | 41 |
| Pages of publication | 4748 - 4755 |
| a | 9.677 ± 0.0005 Å |
| b | 10.0367 ± 0.0007 Å |
| c | 18.2499 ± 0.001 Å |
| α | 90° |
| β | 94.192 ± 0.002° |
| γ | 90° |
| Cell volume | 1767.78 ± 0.18 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.1064 |
| Residual factor for significantly intense reflections | 0.0631 |
| Weighted residual factors for significantly intense reflections | 0.1487 |
| Weighted residual factors for all reflections included in the refinement | 0.1717 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201982 (current) | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4318455.cif |
| 179264 | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/84. |
4318455.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4318455.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4318455.cif |
| 15169 | 2011-03-14 | ../uploads/cif-deposit/cod/cif Adding structures of 4318455 via cif-deposit CGI script. |
4318455.cif |
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Users of the data should acknowledge the original authors of the
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