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Information card for entry 7058763
Preview
Coordinates | 7058763.cif |
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Original paper (by DOI) | HTML |
Formula | C6 H11 As O3 |
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Calculated formula | C6 H11 As O3 |
Title of publication | Pnictogen bonding with alkoxide cages: which pnictogen is best? |
Authors of publication | Trubenstein, Henry J.; Moaven, Shiva; Vega, Maythe; Unruh, Daniel K.; Cozzolino, Anthony F. |
Journal of publication | New Journal of Chemistry |
Year of publication | 2019 |
Journal volume | 43 |
Journal issue | 36 |
Pages of publication | 14305 |
a | 6.018 ± 0.002 Å |
b | 11.627 ± 0.005 Å |
c | 10.644 ± 0.004 Å |
α | 90° |
β | 92.28 ± 0.006° |
γ | 90° |
Cell volume | 744.2 ± 0.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0177 |
Residual factor for significantly intense reflections | 0.0158 |
Weighted residual factors for significantly intense reflections | 0.038 |
Weighted residual factors for all reflections included in the refinement | 0.0385 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
224940 (current) | 2019-11-08 | cif/ Updating files of 7058762, 7058763 Original log message: Adding full bibliography for 7058762--7058763.cif. |
7058763.cif |
217570 | 2019-08-17 | cif/ Adding structures of 7058762, 7058763 via cif-deposit CGI script. |
7058763.cif |
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