Crystallography Open Database

Information card for entry 4502566

Preview

Coordinates	4502566.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 H11 Hg N2 S3 Sb
Calculated formula	C3 H11 Hg N2 S3 Sb
Title of publication	From One-Dimensional Ribbon to Three-Dimensional Microporous Framework: The Syntheses, Crystal Structures, and Properties of a Series of Mercury Antimony Chalcogenides
Authors of publication	Kong, De-Nian; Xie, Zai-Lai; Feng, Mei-Ling; Ye, Dong; Du, Ke-Zhao; Li, Jian-Rong; Huang, Xiao-Ying
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	3
Pages of publication	1364
a	9.476 ± 0.003 Å
b	11.355 ± 0.003 Å
c	19.349 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	2082 ± 1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	64
Hermann-Mauguin space group symbol	C m c a
Hall space group symbol	-C 2ac 2
Residual factor for all reflections	0.027
Residual factor for significantly intense reflections	0.0257
Weighted residual factors for significantly intense reflections	0.0776
Weighted residual factors for all reflections included in the refinement	0.0791
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4502566.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4502566.cif
36477	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4502563, 4502564, 4502565, 4502566, 4502567, 4502568 via cif-deposit CGI script.	4502566.cif