Crystallography Open Database

Information card for entry 4336693

Preview

Coordinates	4336693.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H36 Co N6 S2
Calculated formula	C30 H36 Co N6 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	10.3959 ± 0.0004 Å
b	16.2297 ± 0.0005 Å
c	20.0857 ± 0.0006 Å
α	91.529 ± 0.003°
β	90.82 ± 0.003°
γ	103.129 ± 0.003°
Cell volume	3298.43 ± 0.19 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	0.0837
Residual factor for significantly intense reflections	0.0617
Weighted residual factors for significantly intense reflections	0.1605
Weighted residual factors for all reflections included in the refinement	0.1746
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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.	4336693.cif
102709	2014-02-22	cif/ Adding structures of 4336693 via cif-deposit CGI script.	4336693.cif