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Information card for entry 4079371
Preview
| Coordinates | 4079371.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Common name | Moris-195 (Tatiana) |
|---|---|
| Formula | C16 H7 F9 N2 |
| Calculated formula | C16 H7 F9 N2 |
| SMILES | Fc1c(n2c3c(F)c(F)c(F)c(F)c3nc2C(C)C)c(F)c(F)c(F)c1F |
| Title of publication | Synthesis and Characterization of Group 4 Fluorinated Bis(amidinates) and Their Reactivity in the Formation of Elastomeric Polypropylene |
| Authors of publication | Elkin, Tatyana; Aharonovich, Sinai; Botoshansky, Mark; Eisen, Moris S. |
| Journal of publication | Organometallics |
| Year of publication | 2012 |
| Journal volume | 31 |
| Journal issue | 21 |
| Pages of publication | 7404 |
| a | 16.809 ± 0.003 Å |
| b | 16.277 ± 0.003 Å |
| c | 11.616 ± 0.002 Å |
| α | 90° |
| β | 99.09 ± 0.03° |
| γ | 90° |
| Cell volume | 3138.2 ± 1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0936 |
| Residual factor for significantly intense reflections | 0.0457 |
| Weighted residual factors for significantly intense reflections | 0.1155 |
| Weighted residual factors for all reflections included in the refinement | 0.1322 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.94 |
| 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. |
4079371.cif |
| 201982 | 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. |
4079371.cif |
| 178682 | 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 4/07/93. |
4079371.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4079371.cif |
| 72418 | 2013-01-21 | cif/ Adding structures of 4079368, 4079369, 4079370, 4079371, 4079372, 4079373, 4079374, 4079375 via cif-deposit CGI script. |
4079371.cif |
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Users of the data should acknowledge the original authors of the
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