Crystallography Open Database

Information card for entry 4516559

Preview

Coordinates	4516559.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C120 H89 Ce2.27 N8 O45 Tb0.73
Calculated formula	C120 H72 Ce2.27 N8 O45 Tb0.73
Title of publication	Homochiral, Helical Coordination Complexes of Lanthanides(III) and Mixed-Metal Lanthanides(III): Impact of the 1,8-Naphthalimide Supramolecular Tecton on Structure, Magnetic Properties, and Luminescence
Authors of publication	Reger, Daniel L.; Leitner, Andrew; Smith, Mark D.
Journal of publication	Crystal Growth & Design
Year of publication	2015
Journal volume	15
Journal issue	11
Pages of publication	5637
a	14.8679 ± 0.0016 Å
b	14.8679 ± 0.0016 Å
c	55.353 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	12236 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	96
Hermann-Mauguin space group symbol	P 43 21 2
Hall space group symbol	P 4nw 2abw
Residual factor for all reflections	0.0793
Residual factor for significantly intense reflections	0.0548
Weighted residual factors for significantly intense reflections	0.1137
Weighted residual factors for all reflections included in the refinement	0.122
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
231377 (current)	2019-11-22	cif/ Adding structures of 4516552, 4516553, 4516554, 4516555, 4516556, 4516557, 4516558, 4516559, 4516560, 4516561 via cif-deposit CGI script.	4516559.cif