Crystallography Open Database

Information card for entry 4102903

Preview

Coordinates	4102903.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	As4 S4
Calculated formula	As4 S4
SMILES	[As]12[As]3S[As]([As](S3)S2)S1
Title of publication	Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar
Authors of publication	Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	11398 - 11401
a	9.3245 ± 0.0002 Å
b	13.5582 ± 0.0003 Å
c	6.5876 ± 0.0001 Å
α	90°
β	106.504 ± 0.001°
γ	90°
Cell volume	798.51 ± 0.03 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	2
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0913
Residual factor for significantly intense reflections	0.0575
Weighted residual factors for significantly intense reflections	0.1519
Weighted residual factors for all reflections included in the refinement	0.1743
Goodness-of-fit parameter for all reflections included in the refinement	1.009
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
178775 (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 4/10/29.	4102903.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4102903.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4102903.cif
25826	2011-09-14	../uploads/cif-deposit/cod/cif Adding structures of 4102903 via cif-deposit CGI script.	4102903.cif