Crystallography Open Database

Information card for entry 2311595

Preview

Coordinates	2311595.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Triaqua(4-hydroxypyridine-2,6-dicarboxylato)nickel(II) 1.7-hydrate
Formula	C7 H12.4 N Ni O9.7
Calculated formula	C7 H12.398 N Ni O9.699
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	14.7249 ± 0.0011 Å
b	6.8538 ± 0.0005 Å
c	22.351 ± 0.0016 Å
α	90°
β	90.355 ± 0.001°
γ	90°
Cell volume	2255.7 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0447
Residual factor for significantly intense reflections	0.0389
Weighted residual factors for significantly intense reflections	0.1036
Weighted residual factors for all reflections included in the refinement	0.1056
Goodness-of-fit parameter for all reflections included in the refinement	1.165
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.	2311595.cif