Crystallography Open Database

Information card for entry 7122590

Preview

Structure parameters

Formula	C28 H23 B Cl F10 P
Calculated formula	C28 H23 B Cl F10 P
Title of publication	Phosphirenium borate betaines from alkynylphosphanes and the halogeno-B(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub> reagents.
Authors of publication	Ueno, Atsushi; Möricke, Jennifer; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	97
Pages of publication	13746 - 13749
a	9.2115 ± 0.0002 Å
b	22.0031 ± 0.0005 Å
c	14.1968 ± 0.0004 Å
α	90°
β	97.69 ± 0.001°
γ	90°
Cell volume	2851.55 ± 0.12 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
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	0.1201
Residual factor for significantly intense reflections	0.0788
Weighted residual factors for significantly intense reflections	0.1369
Weighted residual factors for all reflections included in the refinement	0.1603
Goodness-of-fit parameter for all reflections included in the refinement	1.122
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7122590.html