Crystallography Open Database

Information card for entry 7239849

Preview

Coordinates	7239849.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H40 B2 O20 Tb2
Calculated formula	C42 H28 B2 O20 Tb2
Title of publication	A new series of lanthanide-based complexes with a bis(hydroxy)benzoxaborolone ligand: synthesis, crystal structure, and magnetic and optical properties
Authors of publication	Abdallah, Ahmad; Puget, Marin; Daiguebonne, Carole; Suffren, Yan; Calvez, Guillaume; Bernot, Kevin; Guillou, Olivier
Journal of publication	CrystEngComm
Year of publication	2020
Journal volume	22
Journal issue	11
Pages of publication	2020 - 2030
a	9.3329 ± 0.0013 Å
b	16.012 ± 0.002 Å
c	16.212 ± 0.002 Å
α	107.789 ± 0.005°
β	90.226 ± 0.005°
γ	97.585 ± 0.005°
Cell volume	2284.2 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0738
Residual factor for significantly intense reflections	0.0548
Weighted residual factors for significantly intense reflections	0.1441
Weighted residual factors for all reflections included in the refinement	0.1547
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation probe	x-ray
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
257485 (current)	2020-10-06	cif/ Updating files of 7239849, 7239850 Original log message: Adding full bibliography for 7239849--7239850.cif.	7239849.cif
250268	2020-04-05	cif/ Updating files of 7239849, 7239850 Original log message: Adding full bibliography for 7239849--7239850.cif.	7239849.cif
247400	2020-01-31	cif/ Adding structures of 7239849, 7239850 via cif-deposit CGI script.	7239849.cif