Crystallography Open Database

Information card for entry 4103652

Preview

Coordinates	4103652.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	C72Cl4
Formula	C73 Cl4 S2
Calculated formula	C73 Cl4 S2
Title of publication	C72Cl4: A Pristine Fullerene with Favorable Pentagon-Adjacent Structure
Authors of publication	Yuan-Zhi Tan; Ting Zhou; Jian Bao; Gui-Juan Shan; Su-Yuan Xie; Rong-Bin Huang; Lan-Sun Zheng
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	17102 - 17104
a	20.377 ± 0.004 Å
b	16.863 ± 0.003 Å
c	10.972 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	3770.2 ± 1.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0842
Residual factor for significantly intense reflections	0.0783
Weighted residual factors for significantly intense reflections	0.2211
Weighted residual factors for all reflections included in the refinement	0.2277
Goodness-of-fit parameter for all reflections included in the refinement	1.079
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
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.	4103652.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4103652.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4103652.cif
26685	2011-09-24	../uploads/cif-deposit/cod/cif Adding structures of 4103652 via cif-deposit CGI script.	4103652.cif