Crystallography Open Database

Information card for entry 1565790

Preview

Coordinates	1565790.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H76 K Nd O6 Si4
Calculated formula	C80 H76 K Nd O6 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	15.07667 ± 0.00012 Å
b	18.20509 ± 0.00011 Å
c	36.5229 ± 0.0003 Å
α	90°
β	94.8279 ± 0.0008°
γ	90°
Cell volume	9988.95 ± 0.13 Å³
Cell temperature	139.99 ± 0.11 K
Ambient diffraction temperature	139.99 ± 0.11 K
Number of distinct elements	6
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	0.0435
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for significantly intense reflections	0.1228
Weighted residual factors for all reflections included in the refinement	0.1248
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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.	1565790.cif
271484	2021-12-17	cif/ Adding structures of 1565790, 1565791, 1565792, 1565793, 1565794, 1565795, 1565796 via cif-deposit CGI script.	1565790.cif