Crystallography Open Database

Information card for entry 7039039

Preview

Coordinates	7039039.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H107 B2 N35 O106 W24 Zn5
Calculated formula	C55 H75 B2 N35 O106 W24 Zn5
Title of publication	Two novel bi-functional hybrid materials constructed from POMs and a Schiff base with excellent third-order NLO and catalytic properties.
Authors of publication	Hu, Gonghao; Miao, Hao; Mei, Hua; Zhou, Shuai; Xu, Yan
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	19
Pages of publication	7947 - 7951
a	13.0563 ± 0.0013 Å
b	22.736 ± 0.002 Å
c	25.199 ± 0.003 Å
α	87.645 ± 0.001°
β	79.83 ± 0.001°
γ	84.888 ± 0.001°
Cell volume	7331 ± 1.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1223
Residual factor for significantly intense reflections	0.0711
Weighted residual factors for significantly intense reflections	0.1506
Weighted residual factors for all reflections included in the refinement	0.1682
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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
185530 (current)	2016-08-07	cif/ Updating files of 7039038, 7039039 Original log message: Adding full bibliography for 7039038--7039039.cif.	7039039.cif
182170	2016-04-16	cif/ Adding structures of 7039038, 7039039 via cif-deposit CGI script.	7039039.cif