Crystallography Open Database

Information card for entry 7214266

Preview

Coordinates	7214266.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C168 H111 Cl21 F30 N18 O9 Zn6
Calculated formula	C168 H99 Cl21 F30 N18 O9 Zn6
Title of publication	Metallohexacycles containing 4′-aryl-4,2′:6′,4′′-terpyridines: conformational preferences and fullerene capture
Authors of publication	Constable, Edwin C.; Housecroft, Catherine E.; Vujovic, Srboljub; Zampese, Jennifer A.
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	3
Pages of publication	328
a	37.998 ± 0.004 Å
b	37.998 ± 0.004 Å
c	11.3178 ± 0.0011 Å
α	90°
β	90°
γ	120°
Cell volume	14152 ± 3 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	7
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0626
Residual factor for significantly intense reflections	0.0613
Weighted residual factors for significantly intense reflections	0.181
Weighted residual factors for all reflections included in the refinement	0.1826
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7214266.cif
108277	2014-03-30	cif/ Adding structures of 7214263, 7214264, 7214265, 7214266, 7214267, 7214268 via cif-deposit CGI script.	7214266.cif