Crystallography Open Database

Information card for entry 4347707

Preview

Coordinates	4347707.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H92 Cu3 N12 O38 V10
Calculated formula	C30 H72 Cu3 N12 O38 V10
Title of publication	A Robust Open Framework Formed by Decavanadate Clusters and Copper(II) Complexes of Macrocyclic Polyamines: Permanent Microporosity and Catalytic Oxidation of Cycloalkanes.
Authors of publication	Martín-Caballero, Jagoba; San José Wéry, Ana; Reinoso, Santiago; Artetxe, Beñat; San Felices, Leire; El Bakkali, Bouchra; Trautwein, Guido; Alcañiz-Monge, Juan; Vilas, José Luis; Gutiérrez-Zorrilla, Juan M
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	10
Pages of publication	4970 - 4979
a	10.6665 ± 0.0008 Å
b	11.9325 ± 0.0009 Å
c	13.7832 ± 0.0008 Å
α	95.752 ± 0.005°
β	105.003 ± 0.006°
γ	90.677 ± 0.006°
Cell volume	1684.7 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.07
Residual factor for significantly intense reflections	0.0567
Weighted residual factors for significantly intense reflections	0.1534
Weighted residual factors for all reflections included in the refinement	0.1661
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
232456 (current)	2019-11-23	cif/ Adding structures of 4347707, 4347708 via cif-deposit CGI script.	4347707.cif