Crystallography Open Database

Information card for entry 1565793

Preview

Coordinates	1565793.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H84 Ce O7 Si4
Calculated formula	C84 H84 Ce O7 Si4
SMILES	c1(ccccc1)[Si](c1ccccc1)(O[Ce](O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)([O]1CCCC1)(O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)(O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)[O]1CCCC1)c1ccccc1.O1CCCC1
Title of publication	Structure, reactivity and luminescence studies of triphenylsiloxide complexes of tetravalent lanthanides
Authors of publication	Willauer, Aurélien R.; Douair, Iskander; Chauvin, Anne-Sophie; Fadaei-Tirani, Farzaneh; Bünzli, Jean-Claude G.; Maron, Laurent; Mazzanti, Marinella
Journal of publication	Chemical Science
Year of publication	2022
Journal volume	13
Journal issue	3
Pages of publication	681 - 691
a	16.5246 ± 0.0006 Å
b	23.1693 ± 0.0009 Å
c	21.7608 ± 0.0008 Å
α	90°
β	95.951 ± 0.004°
γ	90°
Cell volume	8286.5 ± 0.5 Å³
Cell temperature	140 ± 0.1 K
Ambient diffraction temperature	140 ± 0.1 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0887
Residual factor for significantly intense reflections	0.0626
Weighted residual factors for significantly intense reflections	0.147
Weighted residual factors for all reflections included in the refinement	0.1656
Goodness-of-fit parameter for all reflections included in the refinement	0.987
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
272592 (current)	2022-02-04	cif/ Updating files of 1565790, 1565791, 1565792, 1565793, 1565794, 1565795, 1565796 Original log message: Adding full bibliography for 1565790--1565796.cif.	1565793.cif
271484	2021-12-17	cif/ Adding structures of 1565790, 1565791, 1565792, 1565793, 1565794, 1565795, 1565796 via cif-deposit CGI script.	1565793.cif