Crystallography Open Database

Information card for entry 7039094

Preview

Coordinates	7039094.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H5 B Cl10 F21 O0 P
Calculated formula	C42 H5 B Cl10 F21 P
SMILES	Clc1c(Cl)c(Cl)c([P+](F)(c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c2ccccc2)c(Cl)c1Cl.Fc1c(F)c(F)c(c(F)c1F)[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
Title of publication	Electrophilic phosphonium cations (EPCs) with perchlorinated-aryl substituents: towards air-stable phosphorus-based Lewis acid catalysts.
Authors of publication	Postle, Shawn; Podgorny, Vitali; Stephan, Douglas W.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	37
Pages of publication	14651 - 14657
a	11.8072 ± 0.0004 Å
b	20.1065 ± 0.0008 Å
c	21.837 ± 0.0007 Å
α	90°
β	100.528 ± 0.002°
γ	90°
Cell volume	5096.9 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
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	0.1131
Residual factor for significantly intense reflections	0.0431
Weighted residual factors for significantly intense reflections	0.0872
Weighted residual factors for all reflections included in the refinement	0.1043
Goodness-of-fit parameter for all reflections included in the refinement	0.603
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
187133 (current)	2016-10-08	cif/ Updating files of 7039093, 7039094, 7039095, 7039096, 7039097 Original log message: Adding full bibliography for 7039093--7039097.cif.	7039094.cif
182340	2016-04-28	cif/ Adding structures of 7039093, 7039094, 7039095, 7039096, 7039097 via cif-deposit CGI script.	7039094.cif