Crystallography Open Database

Information card for entry 7126814

Preview

Coordinates	7126814.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C98 H188 O26 Si16 Yb2
Calculated formula	C98 H188 O26 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	16.788 ± 0.003 Å
b	30.084 ± 0.005 Å
c	25.587 ± 0.003 Å
α	90°
β	90.57 ± 0.01°
γ	90°
Cell volume	12922 ± 3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
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	0.196
Residual factor for significantly intense reflections	0.1206
Weighted residual factors for significantly intense reflections	0.2536
Weighted residual factors for all reflections included in the refinement	0.2935
Goodness-of-fit parameter for all reflections included in the refinement	1.116
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.	7126814.cif
253682	2020-07-03	cif/ Adding structures of 7126813, 7126814 via cif-deposit CGI script.	7126814.cif