Crystallography Open Database

Information card for entry 4088575

Preview

Coordinates	4088575.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31.5 H65 N6 O2 Si4 Y
Calculated formula	C31.5 H65 N6 O2 Si4 Y
Title of publication	Heteroscorpionate Rare-Earth Catalysts for the Hydroalkoxylation/Cyclization of Alkynyl Alcohols
Authors of publication	Martínez, Javier; Otero, Antonio; Lara-Sánchez, Agustín; Castro-Osma, José Antonio; Fernández-Baeza, Juan; Sánchez-Barba, Luis F.; Rodríguez, Ana M.
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	11
Pages of publication	1802
a	10.85 ± 0.003 Å
b	19.708 ± 0.005 Å
c	20.186 ± 0.005 Å
α	90°
β	93.535 ± 0.004°
γ	90°
Cell volume	4308.2 ± 1.9 Å³
Cell temperature	230 ± 2 K
Ambient diffraction temperature	230 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.268
Residual factor for significantly intense reflections	0.0737
Weighted residual factors for significantly intense reflections	0.1313
Weighted residual factors for all reflections included in the refinement	0.1926
Goodness-of-fit parameter for all reflections included in the refinement	0.887
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
237675 (current)	2019-11-24	cif/ Adding structures of 4088575, 4088576, 4088577 via cif-deposit CGI script.	4088575.cif