Crystallography Open Database

Information card for entry 1559699

Preview

Coordinates	1559699.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C243 H236 Ga32 N32 Na4 Nd4 O139
Calculated formula	C243 H236 Ga32 N32 Na4 Nd4 O139
Title of publication	Visible, Near-Infrared, and Dual-Range Luminescence Spanning the 4f Series Sensitized by a Gallium(III)/Lanthanide(III) Metallacrown Structure.
Authors of publication	Salerno, Elvin V.; Eliseeva, Svetlana V.; Schneider, Bernadette L.; Kampf, Jeff W.; Petoud, Stéphane; Pecoraro, Vincent L.
Journal of publication	The journal of physical chemistry. A
Year of publication	2020
Journal volume	124
Journal issue	50
Pages of publication	10550 - 10564
a	19.9382 ± 0.0003 Å
b	18.4554 ± 0.0003 Å
c	44.8986 ± 0.0009 Å
α	90°
β	92.964 ± 0.002°
γ	90°
Cell volume	16499.1 ± 0.5 Å³
Cell temperature	225 ± 2 K
Ambient diffraction temperature	225 ± 2 K
Number of distinct elements	7
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	0.1176
Residual factor for significantly intense reflections	0.1084
Weighted residual factors for significantly intense reflections	0.3255
Weighted residual factors for all reflections included in the refinement	0.3343
Goodness-of-fit parameter for all reflections included in the refinement	1.16
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
260434 (current)	2021-01-04	cif/ Updating files of 1559699 Original log message: Adding full bibliography for 1559699.cif.	1559699.cif
259476	2020-12-03	cif/ Adding structures of 1559699 via cif-deposit CGI script.	1559699.cif