Crystallography Open Database

Information card for entry 7230729

Preview

Coordinates	7230729.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H28 Cu F6 N4 O9 S2
Calculated formula	C26 H16 Cu F6 N4 O9 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	28.576 ± 0.002 Å
b	28.576 ± 0.002 Å
c	17.986 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	14687.1 ± 1.7 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0765
Residual factor for significantly intense reflections	0.0716
Weighted residual factors for significantly intense reflections	0.2183
Weighted residual factors for all reflections included in the refinement	0.2233
Goodness-of-fit parameter for all reflections included in the refinement	1.118
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.	7230729.cif
207976	2018-05-25	cif/ Adding structures of 7230729, 7230730, 7230731, 7230732, 7230733, 7230734 via cif-deposit CGI script.	7230729.cif