Crystallography Open Database

Information card for entry 7233340

Preview

Coordinates	7233340.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H49.5 Ce N6 O4.5 S3
Calculated formula	C48 H49.5 Ce N6 O4.5 S3
Title of publication	Cerium(iii) complexes with azolyl-substituted thiophenolate ligands: synthesis, structure and red luminescence
Authors of publication	Ilichev, Vasily A.; Silantyeva, Liubov I.; Grishin, Ivan D.; Rozhkov, Anton V.; Rumyantcev, Roman V.; Fukin, Georgy K.; Bochkarev, Mikhail N.
Journal of publication	RSC Advances
Year of publication	2019
Journal volume	9
Journal issue	42
Pages of publication	24110
a	21.5274 ± 0.0003 Å
b	12.464 ± 0.0002 Å
c	39.1836 ± 0.0005 Å
α	90°
β	95.484 ± 0.001°
γ	90°
Cell volume	10465.5 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.077
Residual factor for significantly intense reflections	0.0577
Weighted residual factors for significantly intense reflections	0.1658
Weighted residual factors for all reflections included in the refinement	0.1826
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
217422 (current)	2019-08-06	cif/ Adding structures of 7233339, 7233340, 7233341 via cif-deposit CGI script.	7233340.cif