Crystallography Open Database

Information card for entry 7211355

Preview

Coordinates	7211355.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H57 Cu4 F5 N6 O16
Calculated formula	C70 H57 Cu4 F5 N6 O16
Title of publication	Do perfluoroarene⋯arene and C‒H⋯F interactions make a difference to the structures of 4,2′:6′,4′′-terpyridine-based coordination polymers?
Authors of publication	Constable, Edwin C.; Housecroft, Catherine E.; Vujovic, Srboljub; Zampese, Jennifer A.; Crochet, Aurélien; Batten, Stuart R.
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	46
Pages of publication	10068
a	26.366 ± 0.003 Å
b	16.393 ± 0.002 Å
c	8.1433 ± 0.0009 Å
α	90°
β	107.648 ± 0.006°
γ	90°
Cell volume	3354 ± 0.7 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 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	0.0541
Residual factor for significantly intense reflections	0.0502
Weighted residual factors for significantly intense reflections	0.1518
Weighted residual factors for all reflections included in the refinement	0.156
Goodness-of-fit parameter for all reflections included in the refinement	1.125
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180444 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/13.	7211355.cif
91442	2013-12-13	cif/ Adding structures of 7211354, 7211355, 7211356, 7211357 via cif-deposit CGI script.	7211355.cif