Crystallography Open Database

Information card for entry 1566042

Preview

Coordinates	1566042.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[PrL3(5,5'-Me2bipy)]
Formula	C54 H36 F9 N2 O6 Pr
Calculated formula	C54 H36 F9 N2 O6 Pr
SMILES	[Pr]1234([n]5c(ccc(c5)C)c5[n]1cc(cc5)C)(OC(=CC(=[O]2)c1cc2ccccc2cc1)C(F)(F)F)([O]=C(C(F)(F)F)C=C(O3)c1cc2ccccc2cc1)OC(=CC(=[O]4)c1cc2ccccc2cc1)C(F)(F)F
Title of publication	Structural Characterization, Magnetic and Luminescent Properties of Praseodymium(III)-4,4,4-Trifluoro-1-(2-Naphthyl)Butane-1,3-Dionato(1-) Complexes
Authors of publication	Mautner, Franz A.; Bierbaumer, Florian; Fischer, Roland C.; Vicente, Ramon; Tubau, Ànnia; Ferran, Arnau; Massoud, Salah S.
Journal of publication	Crystals
Year of publication	2021
Journal volume	11
Journal issue	2
Pages of publication	179
a	20.1848 ± 0.0006 Å
b	11.9034 ± 0.0003 Å
c	19.6102 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	4711.7 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0329
Residual factor for significantly intense reflections	0.0266
Weighted residual factors for significantly intense reflections	0.0509
Weighted residual factors for all reflections included in the refinement	0.0534
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
272129 (current)	2022-01-19	cif/ Adding structures of 1566039, 1566040, 1566041, 1566042 via cif-deposit CGI script.	1566042.cif