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Information card for entry 4085030
Preview
Coordinates | 4085030.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C80 H100 B4 Br4 O12 P4 |
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Calculated formula | C80 H100 B4 Br4 O12 P4 |
Title of publication | Synthesis of Borophosphonate Cage Compounds: Influence of Substituent and Concentration Effects on Product Distribution in Condensation Reactions of Aryl Phosphonic Acids and Boronic Acids |
Authors of publication | Liu, Qian; Contrella, Nathan D.; Filatov, Alexander S.; Jordan, Richard F. |
Journal of publication | Organometallics |
Year of publication | 2015 |
Journal volume | 34 |
Journal issue | 1 |
Pages of publication | 254 |
a | 13.6221 ± 0.0008 Å |
b | 17.9989 ± 0.001 Å |
c | 20.9051 ± 0.0011 Å |
α | 81.418 ± 0.002° |
β | 80.698 ± 0.002° |
γ | 86.124 ± 0.002° |
Cell volume | 4996.6 ± 0.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0819 |
Residual factor for significantly intense reflections | 0.0453 |
Weighted residual factors for significantly intense reflections | 0.0953 |
Weighted residual factors for all reflections included in the refinement | 0.1025 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | Mo-Kα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4085030.html
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Users of the data should acknowledge the original authors of the
structural data.