Crystallography Open Database

Information card for entry 4347619

Preview

Coordinates	4347619.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C114 H59 Cl24 N6 Nd4 O24.5
Calculated formula	C114 H59 Cl24.0004 N6 Nd4 O24.5
Title of publication	Supramolecular Assembly of Molecular Rare-Earth-3,5-Dichlorobenzoic Acid-2,2':6',2″-Terpyridine Materials: Structural Systematics, Luminescence Properties, and Magnetic Behavior.
Authors of publication	Carter, Korey P.; Thomas, Kara E.; Pope, Simon J. A.; Holmberg, Rebecca J.; Butcher, Ray J.; Murugesu, Muralee; Cahill, Christopher L.
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	14
Pages of publication	6902 - 6915
a	12.8146 ± 0.001 Å
b	16.1805 ± 0.0012 Å
c	16.6822 ± 0.0013 Å
α	75.23 ± 0.011°
β	68.99 ± 0.011°
γ	79.714 ± 0.012°
Cell volume	3107.8 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.032
Residual factor for significantly intense reflections	0.0266
Weighted residual factors for significantly intense reflections	0.06
Weighted residual factors for all reflections included in the refinement	0.0617
Goodness-of-fit parameter for all reflections included in the refinement	1.289
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
232409 (current)	2019-11-23	cif/ Adding structures of 4347615, 4347616, 4347617, 4347618, 4347619, 4347620, 4347621, 4347622, 4347623, 4347624, 4347625, 4347626, 4347627, 4347628, 4347629, 4347630 via cif-deposit CGI script.	4347619.cif