Crystallography Open Database

Information card for entry 7227076

Preview

Coordinates	7227076.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H35 Br2 Cu F30 N6 O14 Tb
Calculated formula	C49 H35 Br2 Cu F30 N6 O14 Tb
Title of publication	Cu‒Ln compounds based on nitronyl nitroxide radicals: synthesis, structure, and magnetic and fluorescence properties
Authors of publication	Yang, Meng; Sun, Juan; Guo, Jianni; Sun, Guifang; Li, Licun
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	48
Pages of publication	9345
a	27.231 ± 0.006 Å
b	10.521 ± 0.002 Å
c	23.519 ± 0.005 Å
α	90°
β	107.426 ± 0.003°
γ	90°
Cell volume	6429 ± 2 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	8
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.053
Residual factor for significantly intense reflections	0.0467
Weighted residual factors for significantly intense reflections	0.1411
Weighted residual factors for all reflections included in the refinement	0.1489
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
190072 (current)	2017-01-09	cif/ Updating files of 7227070, 7227071, 7227072, 7227073, 7227074, 7227075, 7227076, 7227077 Original log message: Adding full bibliography for 7227070--7227077.cif.	7227076.cif
188391	2016-11-11	cif/ Adding structures of 7227070, 7227071, 7227072, 7227073, 7227074, 7227075, 7227076, 7227077 via cif-deposit CGI script.	7227076.cif