Crystallography Open Database

Information card for entry 7239331

Preview

Coordinates	7239331.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H20 Cu N O5 P2
Calculated formula	C19 H20 Cu N O5 P2
Title of publication	Supramolecular interactions impacting on the water stability of tubular metal–organic frameworks
Authors of publication	Taddei, Marco; Ienco, Andrea; Costantino, Ferdinando; Guerri, Annalisa
Journal of publication	RSC Advances
Year of publication	2013
Journal volume	3
Journal issue	48
Pages of publication	26177
a	5.6921 ± 0.0002 Å
b	13.3051 ± 0.0005 Å
c	13.9862 ± 0.0006 Å
α	64.365 ± 0.004°
β	80.711 ± 0.003°
γ	86.393 ± 0.003°
Cell volume	942.42 ± 0.07 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0626
Residual factor for significantly intense reflections	0.0365
Weighted residual factors for significantly intense reflections	0.0875
Weighted residual factors for all reflections included in the refinement	0.0983
Goodness-of-fit parameter for all reflections included in the refinement	1.004
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
296814 (current)	2024-12-10	Changed data name '_diffrn_reflns_point_group_measured_fraction_ful' to '_diffrn_reflns_point_group_measured_fraction_full' in multiple entries.	7239331.cif
244657	2019-11-28	cif/ Adding structures of 7239331, 7239332 via cif-deposit CGI script.	7239331.cif