Crystallography Open Database

Information card for entry 7219224

7219223 << 7219224 >> 7219225

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Structure parameters

Formula	C12 H14 Co F2 N2 O8
Calculated formula	C12 H14 Co F2 N2 O8
SMILES	c1(c[n](cc(c1)F)[Co]([OH2])([n]1cc(C(=O)[O-])cc(c1)F)([OH2])([OH2])[OH2])C(=O)[O-]
Title of publication	Exploring 5-fluoronicotinic acid as a versatile building block for the generation of topologically diverse metal-organic and supramolecular Ni, Co, and Cd networks
Authors of publication	Cui, Yanhui; Wu, Jiang; Kirillov, Alexander M.; Gu, Jinzhong; dou, wei
Journal of publication	RSC Adv.
Year of publication	2015
a	8.4112 ± 0.0005 Å
b	6.8339 ± 0.0005 Å
c	13.2136 ± 0.0008 Å
α	90°
β	96.514 ± 0.006°
γ	90°
Cell volume	754.63 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	12
Hermann-Mauguin space group symbol	I 1 2/m 1
Hall space group symbol	-I 2y
Residual factor for all reflections	0.0424
Residual factor for significantly intense reflections	0.0379
Weighted residual factors for significantly intense reflections	0.0962
Weighted residual factors for all reflections included in the refinement	0.1009
Goodness-of-fit parameter for all reflections included in the refinement	1.002
Diffraction radiation wavelength	0.71 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301864 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure.	7219224.cif
180523	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/92.	7219224.cif
129423	2015-01-07	cif/ Adding structures of 7219222, 7219223, 7219224, 7219225, 7219226 via cif-deposit CGI script.	7219224.cif