Crystallography Open Database

Information card for entry 1540674

Preview

Coordinates	1540674.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H74 Cu3 N12 O52 W12
Calculated formula	C60 H48 Cu3 N12 O51 W12
Title of publication	Controllable assembly, characterization and catalytic properties of a new Strandberg-type organophosphotungstate.
Authors of publication	Ma, Hong-Xin; Du, Jing; Zhu, Zai-Ming; Lu, Ting; Su, Fang; Zhang, Lan-Cui
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	4
Pages of publication	1631 - 1637
a	12.796 ± 0.004 Å
b	25.625 ± 0.007 Å
c	16.112 ± 0.003 Å
α	90°
β	119.955 ± 0.016°
γ	90°
Cell volume	4577 ± 2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
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	0.0936
Residual factor for significantly intense reflections	0.0854
Weighted residual factors for significantly intense reflections	0.1845
Weighted residual factors for all reflections included in the refinement	0.1888
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1540674.html