Crystallography Open Database

Information card for entry 7054771

Preview

Coordinates	7054771.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	complex 1
Formula	C55 H68 N16 O15 Zn2
Calculated formula	C55 H68 N16 O15 Zn2
Title of publication	Triazine -polycarboxylate acids complexes: synthesis, structure and photocatalytic activity
Authors of publication	Wang, Zhi Nan; Wang, Xuan; Wei, Si-Yue; Wang, Jixiao; Bai, Feng Ying; Xing, Yong Heng; Sun, Lixian
Journal of publication	New J. Chem.
Year of publication	2015
a	13.3096 ± 0.0007 Å
b	14.3661 ± 0.0007 Å
c	20.6457 ± 0.0008 Å
α	90°
β	126.685 ± 0.002°
γ	90°
Cell volume	3165.7 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
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	0.084
Residual factor for significantly intense reflections	0.0545
Weighted residual factors for significantly intense reflections	0.1689
Weighted residual factors for all reflections included in the refinement	0.1937
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
180101 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/47.	7054771.cif
134482	2015-03-28	cif/ Adding structures of 7054771, 7054772, 7054773, 7054774 via cif-deposit CGI script.	7054771.cif