Crystallography Open Database

Information card for entry 1543650

Preview

Coordinates	1543650.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H26 Cl4 O3 P Sb
Calculated formula	C37 H26 Cl4 O3 P Sb
SMILES	[Sb]12(OC[P+](c3c1cccc3)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)Oc1c(O2)c(Cl)c(Cl)c(Cl)c1Cl
Title of publication	Fluorinated antimony(v) derivatives: strong Lewis acidic properties and application to the complexation of formaldehyde in aqueous solutions
Authors of publication	Tofan, Daniel; Gabbaï, François P.
Journal of publication	Chem. Sci.
Year of publication	2016
Journal volume	7
Journal issue	11
Pages of publication	6768
a	11.241 ± 0.004 Å
b	12.544 ± 0.004 Å
c	13.673 ± 0.004 Å
α	73.997 ± 0.004°
β	71.62 ± 0.004°
γ	64.203 ± 0.004°
Cell volume	1625.5 ± 0.9 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0824
Residual factor for significantly intense reflections	0.0479
Weighted residual factors for significantly intense reflections	0.0925
Weighted residual factors for all reflections included in the refinement	0.109
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
188063 (current)	2016-11-08	cif/ Updating files of 1543644, 1543645, 1543646, 1543647, 1543648, 1543649, 1543650, 1543651, 1543652 Original log message: Adding full bibliography for 1543644--1543652.cif.	1543650.cif
184375	2016-07-12	cif/ Adding structures of 1543644, 1543645, 1543646, 1543647, 1543648, 1543649, 1543650, 1543651, 1543652 via cif-deposit CGI script.	1543650.cif