Crystallography Open Database

Information card for entry 7063646

Preview

Coordinates	7063646.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C144 H108 Cu9.98 N24 O166 P4 W44.02
Calculated formula	C144 H108 Cu9.984 N24 O166 P4 W44.016
Title of publication	Synthesis and sulfide oxidation catalytic activity of a copper monosubstituted Keggin-type polyoxometalate-based supramolecular compound
Authors of publication	Zhang, Yixuan; Zhu, Maochun; Liu, Yifei; Bai, Xue; Zhang, Ange; Yang, Yanli; Li, Bin; Liu, Shuxia
Journal of publication	New Journal of Chemistry
Year of publication	2025
Journal volume	49
Journal issue	10
Pages of publication	4191 - 4197
a	11.7259 ± 0.0006 Å
b	22.3057 ± 0.0012 Å
c	23.4333 ± 0.0013 Å
α	94.292 ± 0.005°
β	96.418 ± 0.005°
γ	98.299 ± 0.005°
Cell volume	6001 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1075
Residual factor for significantly intense reflections	0.0551
Weighted residual factors for significantly intense reflections	0.0794
Weighted residual factors for all reflections included in the refinement	0.1011
Goodness-of-fit parameter for all reflections included in the refinement	0.9
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
298989 (current)	2025-04-05	cif/ Updating files of 7063646 Original log message: Adding full bibliography for 7063646.cif.	7063646.cif
297673	2025-02-11	cif/ Adding structures of 7063646 via cif-deposit CGI script.	7063646.cif