Crystallography Open Database

Information card for entry 7211357

Preview

Coordinates	7211357.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C128 H108 F20 N12 O31 Zn5
Calculated formula	C128 H86 F20 N12 O31 Zn5
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	39.181 ± 0.002 Å
b	16.518 ± 0.0009 Å
c	25.5638 ± 0.0014 Å
α	90°
β	129.465 ± 0.003°
γ	90°
Cell volume	12772.7 ± 1.3 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0962
Residual factor for significantly intense reflections	0.0683
Weighted residual factors for significantly intense reflections	0.1802
Weighted residual factors for all reflections included in the refinement	0.2057
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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.	7211357.cif
91442	2013-12-13	cif/ Adding structures of 7211354, 7211355, 7211356, 7211357 via cif-deposit CGI script.	7211357.cif