Crystallography Open Database

Information card for entry 2241676

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Structure parameters

Chemical name	<i>catena</i>-Poly[[(dimethyl sulfoxide-κ<i>O</i>)(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')nickel(II)]-μ-pyrazine-κ^2^<i>N</i>:<i>N</i>']
Formula	C13 H13 N3 Ni O5 S
Calculated formula	C13 H13 N3 Ni O5 S
Title of publication	Crystal structure of <i>catena</i>-poly[[(dimethyl sulfoxide-κ<i>O</i>)(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')nickel(II)]-μ-pyrazine-κ^2^<i>N</i>:<i>N</i>']
Authors of publication	Liu, Chen; Thuijs, Annaliese E.; Felts, Ashley C.; Ballouk, Hamza F.; Abboud, Khalil A.
Journal of publication	Acta Crystallographica Section E
Year of publication	2016
Journal volume	72
Journal issue	5
Pages of publication	768 - 771
a	10.5631 ± 0.0007 Å
b	7.0296 ± 0.0004 Å
c	20.371 ± 0.0013 Å
α	90°
β	90.6447 ± 0.0011°
γ	90°
Cell volume	1512.54 ± 0.16 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0215
Residual factor for significantly intense reflections	0.0201
Weighted residual factors for significantly intense reflections	0.0527
Weighted residual factors for all reflections included in the refinement	0.0551
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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
182420 (current)	2016-04-30	cif/ hkl/ Adding structures of 2241676 via cif-deposit CGI script.	2241676.cif 2241676.hkl