Crystallography Open Database

Information card for entry 4334161

Preview

Coordinates	4334161.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H46 Cu2 N8 O41 Si W12
Calculated formula	C32 H44 Cu2 N8 O41 Si W12
Title of publication	Copper(II) Complexes of Tetradentate Pyridyl Ligands Supported on Keggin Polyoxometalates: Single-Crystal to Single-Crystal Transformations Promoted by Reversible Dehydration Processes
Authors of publication	Amaia Iturrospe; Beñat Artetxe; Santiago Reinoso; Leire San Felices; Pablo Vitoria; Luis Lezama; Juan M. Gutiérrez-Zorrilla
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	3084 - 3093
a	19.4645 ± 0.0002 Å
b	23.77 ± 0.0003 Å
c	26.6287 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	12320.3 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0765
Residual factor for significantly intense reflections	0.0636
Weighted residual factors for significantly intense reflections	0.106
Weighted residual factors for all reflections included in the refinement	0.1101
Goodness-of-fit parameter for all reflections included in the refinement	1.258
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
179444 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/41.	4334161.cif
99975	2014-02-04	cif/ Adding structures of 4334161 via cif-deposit CGI script.	4334161.cif