Crystallography Open Database

Information card for entry 4348400

Preview

Coordinates	4348400.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H24 Cu1.5 N O9.25
Calculated formula	C17 H24 Cu1.5 N O9.25
Title of publication	New tricopper(ii) cores self-assembled from aminoalcohol biobuffers and homophthalic acid: synthesis, structural and topological features, magnetic properties and mild catalytic oxidation of cyclic and linear C5‒C8 alkanes
Authors of publication	Dias, Sara S. P.; Kirillova, Marina V.; André, Vânia; Kłak, Julia; Kirillov, Alexander M.
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2015
Journal volume	2
Journal issue	6
Pages of publication	525
a	29.809 ± 0.004 Å
b	29.809 ± 0.004 Å
c	8.4384 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	7498.2 ± 1.9 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.132
Residual factor for significantly intense reflections	0.0735
Weighted residual factors for significantly intense reflections	0.1707
Weighted residual factors for all reflections included in the refinement	0.1994
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
232900 (current)	2019-11-23	cif/ Adding structures of 4348400, 4348401 via cif-deposit CGI script.	4348400.cif