Crystallography Open Database

Information card for entry 7018227

Preview

Coordinates	7018227.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24.25 H18.5 Br4 Cl0.5 S Se
Calculated formula	C24.25 H18 Br4 Cl0.5 S Se
Title of publication	Exploring hypervalency and three-centre, four-electron bonding interactions: Reactions of acenaphthene chalcogen donors and dihalogen acceptors.
Authors of publication	Knight, Fergus R.; Athukorala Arachchige, Kasun S.; Randall, Rebecca A. M.; Bühl, Michael; Slawin, Alexandra M. Z.; Woollins, J. Derek
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	11
Pages of publication	3154 - 3165
a	10.822 ± 0.008 Å
b	11.568 ± 0.008 Å
c	11.94 ± 0.01 Å
α	81.42 ± 0.03°
β	73.07 ± 0.03°
γ	71.07 ± 0.03°
Cell volume	1350.2 ± 1.8 Å³
Cell temperature	125 K
Ambient diffraction temperature	125 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	0.1292
Residual factor for significantly intense reflections	0.0866
Weighted residual factors for all reflections included in the refinement	0.2791
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7018227.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7018227.cif
37691	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 7018225, 7018226, 7018227, 7018228, 7018229, 7018230, 7018231, 7018232, 7018233, 7018234, 7018235, 7018236 via cif-deposit CGI script.	7018227.cif