Crystallography Open Database

Information card for entry 7118661

Preview

Coordinates	7118661.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H8 Cl3 Sb
Calculated formula	C7 H8 Cl3 Sb
SMILES	[Sb](Cl)(Cl)Cl.c1cccc(c1)C
Title of publication	On the nature of the stabilisation of the Eπ pnicogen bond in the SbCl3toluene complex.
Authors of publication	Lo, Rabindranath; Švec, Petr; Růžičková, Zdeňka; Růžička, Aleš; Hobza, Pavel
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	17
Pages of publication	3500 - 3503
a	7.433 ± 0.0006 Å
b	11.831 ± 0.0008 Å
c	12.3401 ± 0.0014 Å
α	75.797 ± 0.007°
β	83.716 ± 0.008°
γ	89.257 ± 0.006°
Cell volume	1045.59 ± 0.17 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.045
Residual factor for significantly intense reflections	0.0395
Weighted residual factors for significantly intense reflections	0.1064
Weighted residual factors for all reflections included in the refinement	0.1145
Goodness-of-fit parameter for all reflections included in the refinement	1.185
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
177709 (current)	2016-03-05	cif/ Updating files of 7118661 Original log message: Adding full bibliography for 7118661.cif.	7118661.cif
175193	2016-01-28	cif/ Adding structures of 7118661 via cif-deposit CGI script.	7118661.cif