Crystallography Open Database

Information card for entry 7227857

Preview

Coordinates	7227857.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Poly{[octaaquabis(mu-6-aminopyridine-3-carboxylato-kN:kO)dimanganese(II)]di(mu-6-aminopyridine-3-carboxylato)}
Formula	C24 H36 Mn2 N8 O16
Calculated formula	C24 H36 Mn2 N8 O16
SMILES	[Mn]1([OH2])([OH2])([n]2cc(ccc2N)C(=O)O[Mn]([n]2cc(ccc2N)C(=O)O1)([OH2])([OH2])([OH2])[OH2])([OH2])[OH2].O=C(c1cnc(cc1)N)[O-].c1c(ccc(n1)N)C(=O)[O-]
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	7.622 ± 0.001 Å
b	19.178 ± 0.002 Å
c	10.846 ± 0.0013 Å
α	90°
β	96.04 ± 0.002°
γ	90°
Cell volume	1576.6 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0546
Residual factor for significantly intense reflections	0.041
Weighted residual factors for significantly intense reflections	0.1015
Weighted residual factors for all reflections included in the refinement	0.1111
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
196385 (current)	2017-05-06	cif/ Updating files of 7227857, 7227858, 7227859, 7227860 Original log message: Adding full bibliography for 7227857--7227860.cif.	7227857.cif
194283	2017-03-16	cif/ Adding structures of 7227857, 7227858, 7227859, 7227860 via cif-deposit CGI script.	7227857.cif