Crystallography Open Database

Information card for entry 1567182

Preview

Coordinates	1567182.cif
Structure factors	1567182.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis{[amino(iminiumyl)methyl]urea} tetrakis{2-[(dimethylamino)(iminiumyl)methyl]guanidine} di-μ~6~-oxido-tetra-μ~3~-oxido-tetradeca-μ~2~-oxido-octaoxidodecavanadium(V) tetrahydrate
Formula	C20 H70 N28 O34 V10
Calculated formula	C20 H70 N28 O34 V10
Title of publication	Bis{[amino(iminiumyl)methyl]urea} tetrakis{2-[(dimethylamino)(iminiumyl)methyl]guanidine} di-μ~6~-oxido-tetra-μ~3~-oxido-tetradeca-μ~2~-oxido-octaoxidodecavanadium(V) tetrahydrate
Authors of publication	Pérez-Benítez, Aarón; Ariza-Ramírez, Jorge Luis; Fortis-Valera, Monserrat; Arroyo-Carmona, Rosa Elena; Martínez de la Luz, María Isabel; Ramírez-Contreras, Diego; Bernès, Sylvain
Journal of publication	IUCrData
Year of publication	2022
Journal volume	7
Journal issue	6
Pages of publication	x220627
a	8.9701 ± 0.0003 Å
b	13.2202 ± 0.0005 Å
c	14.0861 ± 0.0005 Å
α	99.609 ± 0.003°
β	103.133 ± 0.003°
γ	107.676 ± 0.003°
Cell volume	1499 ± 0.1 Å³
Cell temperature	263 ± 1 K
Ambient diffraction temperature	263 ± 1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0685
Residual factor for significantly intense reflections	0.0402
Weighted residual factors for significantly intense reflections	0.0945
Weighted residual factors for all reflections included in the refinement	0.1012
Goodness-of-fit parameter for all reflections included in the refinement	0.828
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.56083 Å
Diffraction radiation type	AgKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
276266 (current)	2022-06-25	cif/ hkl/ Adding structures of 1567182 via cif-deposit CGI script.	1567182.cif 1567182.hkl