Crystallography Open Database

Information card for entry 7126813

Preview

Coordinates	7126813.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C118 H214 N2 O28 Si16 Yb2
Calculated formula	C118 H214 N2 O28 Si16 Yb2
Title of publication	Structure and small molecule activation reactivity of a metallasilsesquioxane of divalent ytterbium.
Authors of publication	Willauer, Aurélien R; Dabrowska, Anna M.; Scopelliti, Rosario; Mazzanti, Marinella
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	63
Pages of publication	8936 - 8939
a	16.342 ± 0.002 Å
b	23.291 ± 0.003 Å
c	24.187 ± 0.004 Å
α	113.031 ± 0.009°
β	90.664 ± 0.014°
γ	100.204 ± 0.01°
Cell volume	8305 ± 2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1028
Residual factor for significantly intense reflections	0.0643
Weighted residual factors for significantly intense reflections	0.1533
Weighted residual factors for all reflections included in the refinement	0.1771
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
255951 (current)	2020-09-06	cif/ Updating files of 7126813, 7126814 Original log message: Adding full bibliography for 7126813--7126814.cif.	7126813.cif
253682	2020-07-03	cif/ Adding structures of 7126813, 7126814 via cif-deposit CGI script.	7126813.cif