Crystallography Open Database

Information card for entry 7223933

Preview

Coordinates	7223933.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H14 Fe N3 O10
Calculated formula	C20 H14 Fe N3 O10
SMILES	[Fe]1234(OC(=O)c5cccc(C(=O)O2)[n]45)OC(=O)c2cccc(C(=O)O1)[n]32.c1c(C)cc[nH+]c1.O.O
Title of publication	Isolation of proton transfer complexes containing 4‒picolinium as cation and pyridine‒2,6‒dicarboxylate complex as anion: Crystallographic and spectral investigations, antioxidant activities and molecular docking studies
Authors of publication	Ansari, Istikhar A.; Sama, Farasha; Shahid, M.; Uddin, Rahis; Arif, Rizwan; Khalid, Mohd; Siddiqi, Zafar A.
Journal of publication	RSC Adv.
Year of publication	2016
a	15.0469 ± 0.0003 Å
b	9.2868 ± 0.0002 Å
c	15.5703 ± 0.0004 Å
α	90°
β	94.011 ± 0.001°
γ	90°
Cell volume	2170.43 ± 0.08 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0489
Residual factor for significantly intense reflections	0.0399
Weighted residual factors for significantly intense reflections	0.1299
Weighted residual factors for all reflections included in the refinement	0.1395
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
174570 (current)	2016-01-19	cif/ Adding structures of 7223932, 7223933 via cif-deposit CGI script.	7223933.cif