Crystallography Open Database

Information card for entry 7039096

Preview

Coordinates	7039096.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H10 Cl5 P
Calculated formula	C18 H10 Cl5 P
SMILES	P(c1ccccc1)(c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)c1ccccc1
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	10.8832 ± 0.0006 Å
b	11.057 ± 0.0005 Å
c	29.4458 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	3543.4 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	149.95 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0593
Residual factor for significantly intense reflections	0.0297
Weighted residual factors for significantly intense reflections	0.0574
Weighted residual factors for all reflections included in the refinement	0.063
Goodness-of-fit parameter for all reflections included in the refinement	0.8411
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.	7039096.cif
182340	2016-04-28	cif/ Adding structures of 7039093, 7039094, 7039095, 7039096, 7039097 via cif-deposit CGI script.	7039096.cif