Crystallography Open Database

Information card for entry 7039097

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Structure parameters

Formula	C18 H10 Cl5 F2 P
Calculated formula	C18 H10 Cl5 F2 P
SMILES	P(F)(F)(c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)(c1ccccc1)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	11.285 ± 0.0004 Å
b	10.8896 ± 0.0004 Å
c	30.4034 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	3736.2 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150.03 K
Number of distinct elements	5
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	0.0334
Residual factor for significantly intense reflections	0.0255
Weighted residual factors for significantly intense reflections	0.0603
Weighted residual factors for all reflections included in the refinement	0.0654
Goodness-of-fit parameter for all reflections included in the refinement	1.0658
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
301849 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure.	7039097.cif
187133	2016-10-08	cif/ Updating files of 7039093, 7039094, 7039095, 7039096, 7039097 Original log message: Adding full bibliography for 7039093--7039097.cif.	7039097.cif
182340	2016-04-28	cif/ Adding structures of 7039093, 7039094, 7039095, 7039096, 7039097 via cif-deposit CGI script.	7039097.cif