Crystallography Open Database

Information card for entry 7230730

Preview

Coordinates	7230730.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H16 Cu F6 N4 O6 S2
Calculated formula	C22 H16 Cu F6 N4 O6 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	28.28 ± 0.007 Å
b	28.28 Å
c	19.059 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	15243 ± 5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	142
Hermann-Mauguin space group symbol	I 41/a c d :2
Hall space group symbol	-I 4bd 2c
Residual factor for all reflections	0.1937
Residual factor for significantly intense reflections	0.1712
Weighted residual factors for significantly intense reflections	0.5198
Weighted residual factors for all reflections included in the refinement	0.5337
Goodness-of-fit parameter for all reflections included in the refinement	2.194
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.	7230730.cif
207976	2018-05-25	cif/ Adding structures of 7230729, 7230730, 7230731, 7230732, 7230733, 7230734 via cif-deposit CGI script.	7230730.cif