Crystallography Open Database

Information card for entry 2235599

Preview

Coordinates	2235599.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis(5-methylpyrazine-2-carboxylato-κ^2^<i>N</i>,<i>O</i>)nickel(II)
Formula	C12 H10 N4 Ni O4
Calculated formula	C12 H10 N4 Ni O4
Title of publication	Bis(5-methylpyrazine-2-carboxylato-κ^2^<i>N</i>,<i>O</i>)nickel(II)
Authors of publication	Shi, Qi-Ying; Zhang, Guo-Chun; Zhou, Chun-Sheng; Yang, Qi
Journal of publication	Acta Crystallographica Section E
Year of publication	2012
Journal volume	68
Journal issue	7
Pages of publication	m919
a	11.3098 ± 0.0019 Å
b	7.6721 ± 0.0011 Å
c	7.5467 ± 0.001 Å
α	90°
β	105.647 ± 0.002°
γ	90°
Cell volume	630.56 ± 0.16 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
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	0.0814
Residual factor for significantly intense reflections	0.0621
Weighted residual factors for significantly intense reflections	0.1508
Weighted residual factors for all reflections included in the refinement	0.1756
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
176798 (current)	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2235599.cif
120072	2014-07-11	Adding DOIs to range 2 structures.	2235599.cif
64070	2012-08-11	cif/ Adding structures of 2235599 via cif-deposit CGI script.	2235599.cif