Crystallography Open Database

Information card for entry 7219225

7219224 << 7219225 >> 7219226

Preview

Coordinates	7219225.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H7 F2 N2 Ni O4.5
Calculated formula	C12 H7 F2 N2 Ni O4.5
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	20.5004 ± 0.0007 Å
b	20.5004 ± 0.0007 Å
c	13.9201 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	5850.2 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	130
Hermann-Mauguin space group symbol	P 4/n c c :2
Hall space group symbol	-P 4a 2ac
Residual factor for all reflections	0.0444
Residual factor for significantly intense reflections	0.0352
Weighted residual factors for significantly intense reflections	0.0891
Weighted residual factors for all reflections included in the refinement	0.0955
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7219225.cif
129423	2015-01-07	cif/ Adding structures of 7219222, 7219223, 7219224, 7219225, 7219226 via cif-deposit CGI script.	7219225.cif