Crystallography Open Database

Information card for entry 4349895

Preview

Coordinates	4349895.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H22 F9 N4 Nd O6 S3
Calculated formula	C38 H22 F9 N4 Nd O6 S3
Title of publication	Heteroleptic β-diketonate Ln(iii) complexes decorated with pyridyl substituted pyridazine ligands: synthesis, structure and luminescence properties
Authors of publication	Khistiaeva, Viktoria V.; Melnikov, Alexey S.; Slavova, Sofia O.; Sizov, Vladimir V.; Starova, Galina L.; Koshevoy, Igor O.; Grachova, Elena V.
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2018
Journal volume	5
Journal issue	12
Pages of publication	3015
a	17.4079 ± 0.0007 Å
b	12.7965 ± 0.0005 Å
c	19.1081 ± 0.0007 Å
α	90°
β	92.492 ± 0.004°
γ	90°
Cell volume	4252.5 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
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	0.0422
Residual factor for significantly intense reflections	0.0334
Weighted residual factors for significantly intense reflections	0.0702
Weighted residual factors for all reflections included in the refinement	0.0755
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
236925 (current)	2019-11-24	cif/ Adding structures of 4349888, 4349889, 4349890, 4349891, 4349892, 4349893, 4349894, 4349895, 4349896, 4349897 via cif-deposit CGI script.	4349895.cif