Crystallography Open Database

Information card for entry 7214339

Preview

Coordinates	7214339.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H64 Cl4 N6 O6 Zn2
Calculated formula	C52 H56 Cl4 N6 O6 Zn2
Title of publication	2D →2D Parallel interpenetration of (4,4) sheets constructed from a ditopic bis(4,2′:6′,4′′-terpyridine)
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	17
Pages of publication	3494
a	20.6102 ± 0.0011 Å
b	11.5999 ± 0.0006 Å
c	23.8198 ± 0.0012 Å
α	90°
β	90.978 ± 0.003°
γ	90°
Cell volume	5693.9 ± 0.5 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	0.0616
Residual factor for significantly intense reflections	0.0591
Weighted residual factors for significantly intense reflections	0.1643
Weighted residual factors for all reflections included in the refinement	0.1659
Goodness-of-fit parameter for all reflections included in the refinement	1.192
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
180474 (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 7/21/43.	7214339.cif
109289	2014-04-10	cif/ Adding structures of 7214338, 7214339 via cif-deposit CGI script.	7214339.cif