Crystallography Open Database

Information card for entry 4503391

Preview

Coordinates	4503391.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H20 Fe N14 S2
Calculated formula	C16 H20 Fe N14 S2
Title of publication	Assembly of Iron(II)-Triazole Polymers from 1D Chains to 3D Interpenetrated Frameworks: Syntheses, Structures, and Magnetic Properties
Authors of publication	Gu, Zhi-Guo; Xu, Yi-Fan; Zhou, Xin-Hui; Zuo, Jing-Lin; You, Xiao-Zeng
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	4
Pages of publication	1306
a	7.8691 ± 0.0019 Å
b	8.604 ± 0.002 Å
c	9.641 ± 0.002 Å
α	77.951 ± 0.004°
β	72.345 ± 0.004°
γ	66.951 ± 0.004°
Cell volume	569.3 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0455
Residual factor for significantly intense reflections	0.0417
Weighted residual factors for significantly intense reflections	0.1136
Weighted residual factors for all reflections included in the refinement	0.116
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
179564 (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 4/50/33.	4503391.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4503391.cif
41515	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503391 via cif-deposit CGI script.	4503391.cif