Crystallography Open Database

Information card for entry 7230734

Preview

Coordinates	7230734.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H20 F6 Fe N4 O8 S2
Calculated formula	C22 H20 F6 Fe N4 O8 S2
Title of publication	Crystallization and structural properties of a family of isotopological 3D-networks: the case of a 4,4′-bipy ligand‒M2+ triflate system
Authors of publication	Rizzato, Silvia; Moret, Massimo; Beghi, Fabio; Lo Presti, Leonardo
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	26
Pages of publication	3784
a	7.852 ± 0.003 Å
b	15.069 ± 0.006 Å
c	23.107 ± 0.01 Å
α	90°
β	90°
γ	90°
Cell volume	2734.1 ± 1.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.1032
Residual factor for significantly intense reflections	0.0804
Weighted residual factors for significantly intense reflections	0.2179
Weighted residual factors for all reflections included in the refinement	0.2479
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation probe	x-ray
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
228989 (current)	2019-11-17	cif/ Updating files of 7230729, 7230730, 7230731, 7230732, 7230733, 7230734 Original log message: Adding full bibliography for 7230729--7230734.cif.	7230734.cif
207976	2018-05-25	cif/ Adding structures of 7230729, 7230730, 7230731, 7230732, 7230733, 7230734 via cif-deposit CGI script.	7230734.cif