Crystallography Open Database

Information card for entry 4103651

Preview

Coordinates	4103651.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C73 Cl4 S2
Calculated formula	C73 Cl4 S2
Title of publication	Disclosure of the Elusive C2v-C72 Carbon Cage
Authors of publication	Karolin Ziegler; Andreas Mueller; Konstantin Yu. Amsharov; Martin Jansen
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	17099 - 17101
a	20.376 ± 0.006 Å
b	16.9 ± 0.005 Å
c	10.96 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	3774.1 ± 1.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.1035
Residual factor for significantly intense reflections	0.0839
Weighted residual factors for significantly intense reflections	0.2529
Weighted residual factors for all reflections included in the refinement	0.2761
Goodness-of-fit parameter for all reflections included in the refinement	1.23
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178782 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/36.	4103651.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4103651.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4103651.cif
26684	2011-09-24	../uploads/cif-deposit/cod/cif Adding structures of 4103651 via cif-deposit CGI script.	4103651.cif