Crystallography Open Database

Information card for entry 1562469

Preview

Coordinates	1562469.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H54 Cu4 Mo12 N8 O51 P3
Calculated formula	C48 H54 Cu4 Mo12 N8 O51 P3
Title of publication	Synthesis and characterization of two polyoxometalates consisting of different Cu-ligand hydrogen phosphate units
Authors of publication	Yan, Jinshuang; Zhao, Xiaofang; Huang, Jiao; Gong, Kaining; Han, Zhangang; Zhai, Xueliang
Journal of publication	Journal of Solid State Chemistry
Year of publication	2014
Journal volume	211
Pages of publication	200 - 205
a	12.5956 ± 0.0006 Å
b	12.7168 ± 0.0006 Å
c	13.7311 ± 0.0007 Å
α	111.438 ± 0.001°
β	101.693 ± 0.001°
γ	93.871 ± 0.001°
Cell volume	1980.4 ± 0.17 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	0.0496
Residual factor for significantly intense reflections	0.0461
Weighted residual factors for significantly intense reflections	0.1104
Weighted residual factors for all reflections included in the refinement	0.1133
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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