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Information card for entry 4347403
Preview
Coordinates | 4347403.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H30 B Cl4 N P2 |
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Calculated formula | C36 H30 B Cl4 N P2 |
SMILES | [P+](c1ccccc1)(N=P(c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.Cl[B](Cl)(Cl)[Cl-] |
Title of publication | Theoretical and Synthetic Study on the Existence, Structures, and Bonding of the Halide-Bridged [B2X7](-) (X = F, Cl, Br, I) Anions. |
Authors of publication | Bertocco, Philipp; Bolli, Christoph; Correia Bicho, Bruno A.; Jenne, Carsten; Erken, Berrin; Laitinen, Risto S.; Seeger, Helene A.; Takaluoma, Teemu T. |
Journal of publication | Inorganic chemistry |
Year of publication | 2016 |
Journal volume | 55 |
Journal issue | 7 |
Pages of publication | 3599 - 3604 |
a | 13.2231 ± 0.0005 Å |
b | 15.0666 ± 0.0005 Å |
c | 18.1737 ± 0.0007 Å |
α | 90° |
β | 110.029 ± 0.005° |
γ | 90° |
Cell volume | 3401.7 ± 0.2 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 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 | 0.0535 |
Residual factor for significantly intense reflections | 0.0379 |
Weighted residual factors for significantly intense reflections | 0.0832 |
Weighted residual factors for all reflections included in the refinement | 0.0917 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
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/4347403.html
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