Crystallography Open Database

Information card for entry 4126187

Preview

Coordinates	4126187.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H34 Cl14 P2 Sb2
Calculated formula	C31 H34 Cl14 P2 Sb2
SMILES	Cl[P+](c1ccccc1)(c1ccccc1)CCC[P+](Cl)(c1ccccc1)c1ccccc1.[Sb](Cl)(Cl)(Cl)[Cl-].[Sb]([Cl-])(Cl)(Cl)Cl.ClCCCl.ClCCCl
Title of publication	Isolable and Readily Handled Halophosphonium Pre-reagents for Hydro- and Deuteriohalogenation.
Authors of publication	Schevenels, Florian T.; Shen, Minxing; Snyder, Scott A.
Journal of publication	Journal of the American Chemical Society
Year of publication	2017
Journal volume	139
Journal issue	18
Pages of publication	6329 - 6337
a	14.258 ± 0.0014 Å
b	17.7595 ± 0.0018 Å
c	18.3616 ± 0.0018 Å
α	90°
β	106.098 ± 0.003°
γ	90°
Cell volume	4467.1 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.067
Residual factor for significantly intense reflections	0.0394
Weighted residual factors for significantly intense reflections	0.0783
Weighted residual factors for all reflections included in the refinement	0.087
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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
197309 (current)	2017-06-04	cif/ Adding structures of 4126187 via cif-deposit CGI script.	4126187.cif