Crystallography Open Database

Information card for entry 1520326

1520325 << 1520326 >> 1520327

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Coordinates	1520326.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H88 Cu6 N24 O72 Si W12
Calculated formula	C76 H72 Cu6 N24 O72 Si 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	11.7014 ± 0.0004 Å
b	15.9523 ± 0.0005 Å
c	17.0285 ± 0.0005 Å
α	107.102 ± 0.003°
β	94.393 ± 0.003°
γ	101.008 ± 0.003°
Cell volume	2952.16 ± 0.18 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	0.0531
Residual factor for significantly intense reflections	0.0503
Weighted residual factors for significantly intense reflections	0.1154
Weighted residual factors for all reflections included in the refinement	0.1168
Goodness-of-fit parameter for all reflections included in the refinement	1.278
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
138321 (current)	2015-06-05	cif/ Adding structures of 1520326 via cif-deposit CGI script.	1520326.cif