Crystallography Open Database

Information card for entry 4348401

Preview

Coordinates	4348401.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H40 Cu3 N2 O14
Calculated formula	C30 H40 Cu3 N2 O14
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	18.2009 ± 0.0007 Å
b	13.56 ± 0.0004 Å
c	13.3152 ± 0.0005 Å
α	90°
β	99.471 ± 0.002°
γ	90°
Cell volume	3241.5 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0405
Residual factor for significantly intense reflections	0.0302
Weighted residual factors for significantly intense reflections	0.0697
Weighted residual factors for all reflections included in the refinement	0.0726
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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.	4348401.cif