Crystallography Open Database

Information card for entry 7225661

Preview

Coordinates	7225661.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H32 F10 N6 O2 Zn
Calculated formula	C49.994 H32 F10 N6 O2 Zn
Title of publication	Synthesis, Structure, Electrochemical, DNA Interaction and Antimicrobial Studies of Fluorinated Trans-Dicationic Pyridinium Porphyrins
Authors of publication	Jagadeesan, Ramesh; Sujatha, Subramaniam; Arunkumar, Chellaiah
Journal of publication	RSC Adv.
Year of publication	2016
a	23.891 ± 0.004 Å
b	13.986 ± 0.004 Å
c	14.697 ± 0.003 Å
α	90°
β	105.084 ± 0.015°
γ	90°
Cell volume	4741.6 ± 1.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0888
Residual factor for significantly intense reflections	0.0545
Weighted residual factors for significantly intense reflections	0.1472
Weighted residual factors for all reflections included in the refinement	0.1754
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	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
211332 (current)	2018-10-05	cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter.	7225661.cif
183904	2016-06-24	cif/ Adding structures of 7225661, 7225662, 7225663, 7225664, 7225665 via cif-deposit CGI script.	7225661.cif