Crystallography Open Database

Information card for entry 1564040

Preview

Coordinates	1564040.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59.75 H66 Cl3.5 N14 O6.75 Yb
Calculated formula	C59.75 H66 Cl3.5 N14 O6.75 Yb
Title of publication	Synthesis, crystal structure and photophysical properties of mixed-ligand lanthanide complexes with 1,3-diketonates bearing pyrazole moieties and 1,10-phenanthroline
Authors of publication	Taydakov, Ilya V.; Korshunov, Vladislav M.; Belousov, Yuriy A.; Nelyubina, Yulia V.; Marchetti, Fabio; Pettinari, Riccardo; Pettinari, Claudio
Journal of publication	Inorganica Chimica Acta
Year of publication	2020
Journal volume	513
Pages of publication	119922
a	12.2382 ± 0.0009 Å
b	20.2285 ± 0.0015 Å
c	25.7802 ± 0.0019 Å
α	90°
β	97.851 ± 0.001°
γ	90°
Cell volume	6322.3 ± 0.8 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0865
Residual factor for significantly intense reflections	0.057
Weighted residual factors for significantly intense reflections	0.1267
Weighted residual factors for all reflections included in the refinement	0.1436
Goodness-of-fit parameter for all reflections included in the refinement	1.136
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
267379 (current)	2021-07-08	cif/ Adding structures of 1564039, 1564040, 1564041 via cif-deposit CGI script.	1564040.cif