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Information card for entry 7042355
Preview
Coordinates | 7042355.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C10 H25 B20 P |
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Calculated formula | C10 H25 B20 P |
SMILES | P1([C]2345[C]678([BH]9%102[BH]2%116[BH]6%127[BH]738[BH]38%12[BH]%12%116[BH]6%102[BH]249[BH]573[BH]8%1262)[C]2345[C]6781[BH]192[BH]2%103[BH]3%114[BH]456[BH]56%11[BH]%11%103[BH]392[BH]271[BH]845[BH]6%1132)c1ccccc1 |
Title of publication | Large, weakly basic bis(carboranyl)phosphines: an experimental and computational study. |
Authors of publication | Riley, Laura E.; Krämer, Tobias; McMullin, Claire L.; Ellis, David; Rosair, Georgina M.; Sivaev, Igor B.; Welch, Alan J. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2017 |
Journal volume | 46 |
Journal issue | 16 |
Pages of publication | 5218 - 5228 |
a | 7.1139 ± 0.001 Å |
b | 11.4378 ± 0.0014 Å |
c | 13.3912 ± 0.0015 Å |
α | 81.884 ± 0.005° |
β | 84.954 ± 0.005° |
γ | 81.231 ± 0.006° |
Cell volume | 1063.6 ± 0.2 Å3 |
Cell temperature | 100 ± 0.2 K |
Ambient diffraction temperature | 100 ± 0.2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0871 |
Residual factor for significantly intense reflections | 0.0685 |
Weighted residual factors for significantly intense reflections | 0.126 |
Weighted residual factors for all reflections included in the refinement | 0.1342 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.135 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7042355.html
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Users of the data should acknowledge the original authors of the
structural data.