Crystallography Open Database

Information card for entry 7222474

Preview

Coordinates	7222474.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H33 N3 O20 Zn3
Calculated formula	C33 H33 N3 O20 Zn3
Title of publication	A variety of metal-organic and supramolecular networks constructed from a new flexible multifunctional building block bearing picolinate and terephthalate functionalities: hydrothermal self-assembly, structural features, magnetic and luminescent properties
Authors of publication	Shao, Yongliang; Cui, Yanhui; Gu, Jinzhong; Kirillov, Alexander M.; Wu, Jiang; Wang, Ya-Wen
Journal of publication	RSC Adv.
Year of publication	2015
a	15.5051 ± 0.0007 Å
b	12.2437 ± 0.0005 Å
c	18.0992 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	3435.9 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0599
Residual factor for significantly intense reflections	0.0463
Weighted residual factors for significantly intense reflections	0.1185
Weighted residual factors for all reflections included in the refinement	0.1274
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7222474.cif
161214	2015-10-09	cif/ Adding structures of 7222469, 7222470, 7222471, 7222472, 7222473, 7222474 via cif-deposit CGI script.	7222474.cif