Crystallography Open Database

Information card for entry 7219223

7219222 << 7219223 >> 7219224

Preview

Coordinates	7219223.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H18 Cd F2 N10 O4
Calculated formula	C24 H18 Cd F2 N10 O4
SMILES	C(=O)(c1cncc(c1)F)O[Cd]12([n]3cc[nH]c3c3[n]1cc[nH]3)([n]1cc[nH]c1c1[n]2cc[nH]1)OC(=O)c1cncc(c1)F
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	7.3743 ± 0.0004 Å
b	8.4333 ± 0.0005 Å
c	10.3961 ± 0.0005 Å
α	92.632 ± 0.002°
β	94.015 ± 0.002°
γ	94.544 ± 0.002°
Cell volume	642.05 ± 0.06 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0251
Residual factor for significantly intense reflections	0.024
Weighted residual factors for significantly intense reflections	0.0622
Weighted residual factors for all reflections included in the refinement	0.0636
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
180523 (current)	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.	7219223.cif
129423	2015-01-07	cif/ Adding structures of 7219222, 7219223, 7219224, 7219225, 7219226 via cif-deposit CGI script.	7219223.cif