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Information card for entry 4328483
Preview
Coordinates | 4328483.cif |
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Original paper (by DOI) | HTML |
Formula | C13 H6 F4 N2 |
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Calculated formula | C13 H6 F4 N2 |
SMILES | c12c(c(c(c(c1F)F)F)F)c(c1ccccc1)n[nH]2 |
Title of publication | Highly Fluorinated Aryl-Substituted Tris(indazolyl)borate Thallium Complexes: Diverse Regiochemistry at the B-N Bond |
Authors of publication | Wilfried-Solo Ojo; Kane Jacob; Emmanuelle Despagnet-Ayoub; Bianca K. Muñoz; Sergio Gonell; Laure Vendier; Viet-Hoang Nguyen; Michel Etienne |
Journal of publication | Inorganic Chemistry |
Year of publication | 2012 |
Journal volume | 51 |
Pages of publication | 2893 - 2901 |
a | 7.048 ± 0.0005 Å |
b | 14.081 ± 0.0008 Å |
c | 21.725 ± 0.0014 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2156.1 ± 0.2 Å3 |
Cell temperature | 180 ± 2 K |
Ambient diffraction temperature | 180 ± 2 K |
Number of distinct elements | 4 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P b c 21 |
Hall space group symbol | P 2c -2b |
Residual factor for all reflections | 0.0766 |
Residual factor for significantly intense reflections | 0.062 |
Weighted residual factors for significantly intense reflections | 0.1506 |
Weighted residual factors for all reflections included in the refinement | 0.1606 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.983 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4328483.html
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