Crystallography Open Database

Information card for entry 7232810

Preview

Coordinates	7232810.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[tetraaquabis(5-bromonicotinato-kO)terbium(III)][diaquabis(5-bromonicotinato-k2O,O')bis(5-bromonicotinato-kO)terbium(III)] bis(5-bromonicotinic acid)
Formula	C24 H19 Br4 N4 O11 Tb
Calculated formula	C24 H19 Br4 N4 O11 Tb
Title of publication	Multifunctional coordination compounds based on lanthanide ions and 5-bromonicotinic acid: magnetic, luminescence and anti-cancer properties
Authors of publication	Ruiz, Cristina; García-Valdivia, Antonio A.; Fernández, Belén; Cepeda, Javier; Oyarzabal, Itziar; Abas, Elisa; Laguna, Mariano; García, Jose Angel; Fernández, Ignacio; San Sebastian, Eider; Rodríguez-Diéguez, Antonio
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	25
Pages of publication	3881
a	11.686 ± 0.0006 Å
b	15.9703 ± 0.0009 Å
c	16.7415 ± 0.0009 Å
α	90°
β	90.246 ± 0.002°
γ	90°
Cell volume	3124.4 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0613
Residual factor for significantly intense reflections	0.0355
Weighted residual factors for significantly intense reflections	0.0597
Weighted residual factors for all reflections included in the refinement	0.0666
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
223614 (current)	2019-11-07	cif/ Updating files of 7232807, 7232808, 7232809, 7232810 Original log message: Adding full bibliography for 7232807--7232810.cif.	7232810.cif
215431	2019-05-23	cif/ Adding structures of 7232807, 7232808, 7232809, 7232810 via cif-deposit CGI script.	7232810.cif