Crystallography Open Database

Information card for entry 1565792

Preview

Coordinates	1565792.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C92 H78 N O5 P Pr Si4
Calculated formula	C92 H78 N O5 P Pr Si4
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	14.39059 ± 0.00014 Å
b	21.1314 ± 0.0002 Å
c	28.0674 ± 0.0003 Å
α	90°
β	91.3627 ± 0.0009°
γ	90°
Cell volume	8532.69 ± 0.15 Å³
Cell temperature	140 ± 0.1 K
Ambient diffraction temperature	140 ± 0.1 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	0.0494
Residual factor for significantly intense reflections	0.0395
Weighted residual factors for significantly intense reflections	0.0942
Weighted residual factors for all reflections included in the refinement	0.0984
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	1565792.cif
271484	2021-12-17	cif/ Adding structures of 1565790, 1565791, 1565792, 1565793, 1565794, 1565795, 1565796 via cif-deposit CGI script.	1565792.cif