Crystallography Open Database

Information card for entry 1563517

Preview

Coordinates	1563517.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H70 As2 Cu8 N20 O65 W18
Calculated formula	C72 H64 As2 Cu8 N20 O65 W18
Title of publication	A novel extended architecture with 46·64 topology based on mixed-valence Wells‒Dawson arsenotungstate and mixed-ligand Cu(I) units
Authors of publication	Tong, Ruizhan; Ren, Xiaoyu; Li, Zuoxi; Liu, Bin; Hu, Huaiming; Xue, Ganglin; Fu, Feng; Wang, Jiwu
Journal of publication	Journal of Solid State Chemistry
Year of publication	2010
Journal volume	183
Journal issue	9
Pages of publication	2027 - 2031
a	15.4671 ± 0.0009 Å
b	17.5861 ± 0.0011 Å
c	23.0647 ± 0.0014 Å
α	74.827 ± 0.001°
β	89.224 ± 0.001°
γ	81.079 ± 0.001°
Cell volume	5979.4 ± 0.6 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	0.0847
Residual factor for significantly intense reflections	0.0548
Weighted residual factors for significantly intense reflections	0.1505
Weighted residual factors for all reflections included in the refinement	0.1741
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
266488 (current)	2021-06-16	cif/ Adding structures of 1563517 via cif-deposit CGI script.	1563517.cif