Crystallography Open Database

Information card for entry 7230731

Preview

Coordinates	7230731.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24.375 H20.75 Cd Cl0.75 F6 N4 O6.5 S2
Calculated formula	C24.375 H20.75 Cd Cl0.75 F6 N4 O6.5 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	17.338 ± 0.001 Å
b	42.746 ± 0.002 Å
c	43.404 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	32168 ± 3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	8
Space group number	70
Hermann-Mauguin space group symbol	F d d d :2
Hall space group symbol	-F 2uv 2vw
Residual factor for all reflections	0.0968
Residual factor for significantly intense reflections	0.0846
Weighted residual factors for significantly intense reflections	0.2594
Weighted residual factors for all reflections included in the refinement	0.2721
Goodness-of-fit parameter for all reflections included in the refinement	1.077
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.	7230731.cif
207976	2018-05-25	cif/ Adding structures of 7230729, 7230730, 7230731, 7230732, 7230733, 7230734 via cif-deposit CGI script.	7230731.cif