Crystallography Open Database

Information card for entry 4516561

Preview

Coordinates	4516561.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C120 H89 Ce1.41 Gd0.27 N8 O45 Tb1.32
Calculated formula	C120 H72 Ce1.41 Gd0.27 N8 O44.999 Tb1.32
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	14.9837 ± 0.0007 Å
b	14.9837 ± 0.0007 Å
c	55.753 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	12517.2 ± 1.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
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	0.0478
Residual factor for significantly intense reflections	0.0411
Weighted residual factors for significantly intense reflections	0.0975
Weighted residual factors for all reflections included in the refinement	0.0998
Goodness-of-fit parameter for all reflections included in the refinement	1.068
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.	4516561.cif