Crystallography Open Database

Information card for entry 1561745

Preview

Coordinates	1561745.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H38 N8 O26 S2 Zn3
Calculated formula	C64 H38 N8 O26 S2 Zn3
Title of publication	Series of coordination polymers based on 4-(5-sulfo-quinolin-8-yloxy) phthalate and bipyridinyl coligands: Structure diversity and properties
Authors of publication	Feng, Xun; Liu, Jing; Li, Jin; Ma, Lu-Fang; Wang, Li-Ya; Ng, Seik-Weng; Qin, Guo-Zhan
Journal of publication	Journal of Solid State Chemistry
Year of publication	2015
Journal volume	230
Pages of publication	80 - 89
a	20.198 ± 0.003 Å
b	10.4281 ± 0.0014 Å
c	16.582 ± 0.002 Å
α	90°
β	99.854 ± 0.003°
γ	90°
Cell volume	3441.1 ± 0.8 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.146
Residual factor for significantly intense reflections	0.0926
Weighted residual factors for significantly intense reflections	0.1944
Weighted residual factors for all reflections included in the refinement	0.2114
Goodness-of-fit parameter for all reflections included in the refinement	1.116
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
264140 (current)	2021-04-14	cif/ Adding structures of 1561741, 1561742, 1561743, 1561744, 1561745 via cif-deposit CGI script.	1561745.cif