Crystallography Open Database

Information card for entry 7062243

Preview

Coordinates	7062243.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H34 Li2 N4 O2 S2
Calculated formula	C34 H34 Li2 N4 O2 S2
Title of publication	Synthesis and photophysical properties of rare earth (La, Nd, Gd, Y, Ho) complexes with silanediamido ligands bearing a chelating phenylbenzothiazole chromophore
Authors of publication	Mironova, Olga A.; Ryadun, Aleksey A.; Sukhikh, Taisiya S.; Pushkarevsky, Nikolay A.; Konchenko, Sergey N.
Journal of publication	New Journal of Chemistry
Year of publication	2023
Journal volume	47
Journal issue	7
Pages of publication	3406 - 3416
a	22.3632 ± 0.0016 Å
b	7.4787 ± 0.0006 Å
c	18.622 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	3114.5 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.0501
Residual factor for significantly intense reflections	0.039
Weighted residual factors for significantly intense reflections	0.0944
Weighted residual factors for all reflections included in the refinement	0.1009
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
281533 (current)	2023-03-04	cif/ Updating files of 7062243, 7062244, 7062245, 7062246, 7062247, 7062248, 7062249, 7062250, 7062251 Original log message: Adding full bibliography for 7062243--7062251.cif.	7062243.cif
280569	2023-01-25	cif/ Adding structures of 7062243, 7062244, 7062245, 7062246, 7062247, 7062248, 7062249, 7062250, 7062251 via cif-deposit CGI script.	7062243.cif