Crystallography Open Database

Information card for entry 2311591

Preview

Coordinates	2311591.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis(6-carboxypicolinato)nickel(II) trihydrate
Formula	C14 H14 N2 Ni O11
Calculated formula	C14 H13.934 N2 Ni O10.967
Title of publication	Zn and Ni complexes of pyridine-2,6-di-carboxyl-ates: crystal field stabilization matters!
Authors of publication	Kremer, Marius; Englert, Ulli
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2019
Journal volume	75
Journal issue	Pt 6
Pages of publication	903 - 911
a	13.6651 ± 0.0015 Å
b	10.0207 ± 0.0011 Å
c	13.7696 ± 0.0015 Å
α	90°
β	115.109 ± 0.002°
γ	90°
Cell volume	1707.3 ± 0.3 Å³
Cell temperature	250 ± 2 K
Ambient diffraction temperature	250 ± 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	0.0621
Residual factor for significantly intense reflections	0.0392
Weighted residual factors for significantly intense reflections	0.1163
Weighted residual factors for all reflections included in the refinement	0.1284
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
246005 (current)	2019-12-25	cif/ Adding structures of 2311590, 2311591, 2311592, 2311593, 2311594, 2311595 via cif-deposit CGI script.	2311591.cif