Crystallography Open Database

Information card for entry 4336695

Preview

Coordinates	4336695.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H18 Co N4 S2
Calculated formula	C16 H18 Co N4 S2
Title of publication	Structural and Magnetic Studies of a New Co(II) Thiocyanato Coordination Polymer Showing Slow Magnetic Relaxations and a Metamagnetic Transition
Authors of publication	Susanne Wöhlert; Tomasz Fic; Zbigniew Tomkowicz; Stefan G. Ebbinghaus; Michał Rams; Wolfgang Haase; Christian Näther
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	12947 - 12957
a	11.2697 ± 0.0006 Å
b	39.566 ± 0.003 Å
c	9.1863 ± 0.0005 Å
α	90°
β	115.23 ± 0.006°
γ	90°
Cell volume	3705.4 ± 0.4 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0564
Residual factor for significantly intense reflections	0.041
Weighted residual factors for significantly intense reflections	0.096
Weighted residual factors for all reflections included in the refinement	0.1027
Goodness-of-fit parameter for all reflections included in the refinement	0.96
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179469 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/66.	4336695.cif
102711	2014-02-22	cif/ Adding structures of 4336695 via cif-deposit CGI script.	4336695.cif