Crystallography Open Database

Information card for entry 4502563

Preview

Coordinates	4502563.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H16 Hg N2 S14 Sb8
Calculated formula	C4 H16 Hg N2 S14 Sb8
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	7.14 ± 0.003 Å
b	27.938 ± 0.01 Å
c	8.102 ± 0.003 Å
α	90°
β	98.042 ± 0.006°
γ	90°
Cell volume	1600.3 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.04
Residual factor for significantly intense reflections	0.0368
Weighted residual factors for significantly intense reflections	0.0911
Weighted residual factors for all reflections included in the refinement	0.0931
Goodness-of-fit parameter for all reflections included in the refinement	1.1
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
179556 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/25.	4502563.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4502563.cif
36477	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4502563, 4502564, 4502565, 4502566, 4502567, 4502568 via cif-deposit CGI script.	4502563.cif