Crystallography Open Database

Information card for entry 7227859

Preview

Coordinates	7227859.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[triaqua(6-aminopyridine-3-carboxylato-kO)bis(4,4'-bipyridine)cobalt(II)](6-aminopyridine-3-carboxylato)pentahydrate
Formula	C32 H42 Co N8 O12
Calculated formula	C32 H42 Co N8 O12
Title of publication	From isolated to 2D coordination polymers based on 6-aminonicotinate and 3d-metal ions: towards field-induced single-ion-magnets
Authors of publication	Rodríguez-Diéguez, Antonio; Pérez-Yáñez, Sonia; Ruiz-Rubio, Leire; Seco, Jose M.; Cepeda, Javier
Journal of publication	CrystEngComm
Year of publication	2017
Journal volume	19
Journal issue	16
Pages of publication	2229
a	9.81 ± 0.0008 Å
b	14.1534 ± 0.0011 Å
c	14.2636 ± 0.0011 Å
α	73.12 ± 0.03°
β	74.15 ± 0.03°
γ	86.86 ± 0.03°
Cell volume	1822.4 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1672
Residual factor for significantly intense reflections	0.0803
Weighted residual factors for significantly intense reflections	0.1876
Weighted residual factors for all reflections included in the refinement	0.218
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
196385 (current)	2017-05-06	cif/ Updating files of 7227857, 7227858, 7227859, 7227860 Original log message: Adding full bibliography for 7227857--7227860.cif.	7227859.cif
194283	2017-03-16	cif/ Adding structures of 7227857, 7227858, 7227859, 7227860 via cif-deposit CGI script.	7227859.cif