Crystallography Open Database

Information card for entry 4507944

Preview

Coordinates	4507944.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H90 Cu4 N24 O45 Si W12
Calculated formula	C96 H80 Cu4 N24 O40 Si 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	15.919 ± 0.003 Å
b	16.025 ± 0.003 Å
c	27.627 ± 0.008 Å
α	90°
β	123.2 ± 0.02°
γ	90°
Cell volume	5897 ± 3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
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	0.1166
Residual factor for significantly intense reflections	0.0725
Weighted residual factors for significantly intense reflections	0.1215
Weighted residual factors for all reflections included in the refinement	0.1368
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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.	4507944.cif
87762	2013-08-27	cif/ Adding structures of 4507944 via cif-deposit CGI script.	4507944.cif