Crystallography Open Database

Information card for entry 4507943

Preview

Coordinates	4507943.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H49 B Cu2 N12 O44 W12
Calculated formula	C48 H48 B Cu2 N12 O44 W12
Title of publication	Polyoxometalate-Induced New Self-Assemblies Based on Copper Ions and Bichelate-Bridging Ligands
Authors of publication	Wang, Xin; Zhang, Mao-Mao; Hao, Xiu-Li; Wang, Yong-Hui; Wei, Ying; Liang, Fu-Shun; Xu, Li-Jie; Li, Yang-Guang
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	8
Pages of publication	3454
a	11.2615 ± 0.0006 Å
b	11.9601 ± 0.0006 Å
c	14.7931 ± 0.0006 Å
α	78.121 ± 0.004°
β	84.854 ± 0.004°
γ	88.142 ± 0.004°
Cell volume	1941.74 ± 0.17 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0816
Residual factor for significantly intense reflections	0.0526
Weighted residual factors for significantly intense reflections	0.0927
Weighted residual factors for all reflections included in the refinement	0.1051
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
179615 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/79.	4507943.cif
87761	2013-08-27	cif/ Adding structures of 4507943 via cif-deposit CGI script.	4507943.cif