Crystallography Open Database

Information card for entry 1520324

1520323 << 1520324 >> 1520325

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Coordinates	1520324.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H88 Cu6 Ge N24 O72 W12
Calculated formula	C76 H72 Cu6 Ge N24 O72 W12
Title of publication	Single-Crystal to Single-Crystal Reversible Transformations Induced by Thermal Dehydration in Keggin-Type Polyoxometalates Decorated with Copper(II)-Picolinate Complexes: The Structure Directing Role of Guanidinium
Authors of publication	Pache, Aroa; Reinoso, Santiago; Felices, Leire; Iturrospe, Amaia; Lezama, Luis; Gutiérrez-Zorrilla, Juan
Journal of publication	Inorganics
Year of publication	2015
Journal volume	3
Journal issue	2
Pages of publication	194
a	11.711 ± 0.0003 Å
b	15.9628 ± 0.0006 Å
c	17.0341 ± 0.0005 Å
α	107.057 ± 0.003°
β	94.372 ± 0.002°
γ	100.971 ± 0.002°
Cell volume	2958.92 ± 0.17 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0456
Residual factor for significantly intense reflections	0.0436
Weighted residual factors for significantly intense reflections	0.0926
Weighted residual factors for all reflections included in the refinement	0.0933
Goodness-of-fit parameter for all reflections included in the refinement	1.28
Diffraction radiation probe	x-ray
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
138318 (current)	2015-06-05	cif/ Adding structures of 1520324 via cif-deposit CGI script.	1520324.cif