Crystallography Open Database

Information card for entry 4088576

Preview

Coordinates	4088576.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29.75 H63 Lu N6 O2 Si4
Calculated formula	C29.75 H63 Lu N6 O2 Si4
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	10.8079 ± 0.001 Å
b	19.6007 ± 0.0017 Å
c	20.0931 ± 0.0018 Å
α	90°
β	93.755 ± 0.002°
γ	90°
Cell volume	4247.4 ± 0.7 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	0.0777
Residual factor for significantly intense reflections	0.0474
Weighted residual factors for significantly intense reflections	0.118
Weighted residual factors for all reflections included in the refinement	0.1327
Goodness-of-fit parameter for all reflections included in the refinement	0.934
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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