Crystallography Open Database

Information card for entry 1566041

Preview

Coordinates	1566041.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[PrL3(4,4'-dimethoxy-bipy]
Formula	C54 H36 F9 N2 O8 Pr
Calculated formula	C54 H36 F9 N2 O8 Pr
SMILES	[Pr]1234([n]5c(cc(OC)cc5)c5[n]1ccc(OC)c5)([O]=C(C(F)(F)F)C=C(O2)c1cc2ccccc2cc1)(OC(=CC(=[O]3)c1cc2ccccc2cc1)C(F)(F)F)[O]=C(C(F)(F)F)C=C(O4)c1cc2ccccc2cc1
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	13.2021 ± 0.0005 Å
b	14.6509 ± 0.0006 Å
c	24.8108 ± 0.001 Å
α	90°
β	98.938 ± 0.002°
γ	90°
Cell volume	4740.7 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.029
Residual factor for significantly intense reflections	0.026
Weighted residual factors for significantly intense reflections	0.0602
Weighted residual factors for all reflections included in the refinement	0.0622
Goodness-of-fit parameter for all reflections included in the refinement	1.146
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.	1566041.cif