Crystallography Open Database

Information card for entry 4503119

Preview

Coordinates	4503119.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H14 Hg3 I6 N4 O2
Calculated formula	C14 H14 Hg3 I6 N4 O2
Title of publication	Organic−Inorganic Hybrid Aligned by the Ligand−Ligand Hydrogen Bonds by Using Pyridyl-Substituted Oxalamides as the Building Blocks
Authors of publication	Zeng, Qingdao; Li, Min; Wu, Dongxia; Lei, Shengbin; Liu, Caiming; Piao, Lingyu; Yang, Yanlian; An, Shiyan; Wang, Chen
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	3
Pages of publication	869
a	5.03 ± 0.001 Å
b	13.731 ± 0.003 Å
c	20.22 ± 0.004 Å
α	90°
β	92.19 ± 0.03°
γ	90°
Cell volume	1395.5 ± 0.5 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.07
Residual factor for significantly intense reflections	0.0537
Weighted residual factors for significantly intense reflections	0.1733
Weighted residual factors for all reflections included in the refinement	0.1819
Goodness-of-fit parameter for all reflections included in the refinement	1.087
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
179562 (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 4/50/31.	4503119.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4503119.cif
41361	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503119 via cif-deposit CGI script.	4503119.cif