Crystallography Open Database

Information card for entry 2240620

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Structure parameters

Chemical name	Poly[[μ-4-(hydroxymethyl)pyridine-κ^2^<i>N</i>:<i>O</i>][4-\ (hydroxymethyl)pyridine-κ<i>N</i>](μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>)\ (thiocyanato-κ<i>N</i>)cadmium]
Formula	C14 H14 Cd N4 O2 S2
Calculated formula	C14 H14 Cd N4 O2 S2
Title of publication	Crystal structure of poly[[μ-4-(hydroxymethyl)pyridine-κ^2^<i>N</i>:<i>O</i>][4-(hydroxymethyl)pyridine-κ<i>N</i>](μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>)(thiocyanato-κ<i>N</i>)cadmium]
Authors of publication	Werner, Julia; Jess, Inke; Näther, Christian
Journal of publication	Acta Crystallographica Section E
Year of publication	2015
Journal volume	71
Journal issue	6
Pages of publication	m129 - m130
a	10.9124 ± 0.0003 Å
b	20.3261 ± 0.0006 Å
c	7.9722 ± 0.0002 Å
α	90°
β	105.965 ± 0.002°
γ	90°
Cell volume	1700.08 ± 0.08 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.0302
Residual factor for significantly intense reflections	0.0247
Weighted residual factors for significantly intense reflections	0.0567
Weighted residual factors for all reflections included in the refinement	0.0584
Goodness-of-fit parameter for all reflections included in the refinement	1.117
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181906 (current)	2016-04-06	hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/06	2240620.cif 2240620.hkl
136412	2015-05-13	cif/ hkl/ Adding structures of 2240620 via cif-deposit CGI script.	2240620.cif 2240620.hkl