Crystallography Open Database

Information card for entry 1520323

1520322 << 1520323 >> 1520324

Preview

Coordinates	1520323.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H62 Cu3.5 N19 O59 Si W12
Calculated formula	C46 H52 Cu3.5 N19 O59 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	11.9426 ± 0.0002 Å
b	12.8151 ± 0.0003 Å
c	30.0533 ± 0.0006 Å
α	101.508 ± 0.002°
β	90.346 ± 0.002°
γ	105.544 ± 0.002°
Cell volume	4333.58 ± 0.16 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	0.0933
Residual factor for significantly intense reflections	0.086
Weighted residual factors for significantly intense reflections	0.1732
Weighted residual factors for all reflections included in the refinement	0.1763
Goodness-of-fit parameter for all reflections included in the refinement	1.273
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
176429 (current)	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary.	1520323.cif
138317	2015-06-05	cif/ Adding structures of 1520323 via cif-deposit CGI script.	1520323.cif