Crystallography Open Database

Information card for entry 4087739

Preview

Coordinates	4087739.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H24 O3 Zn
Calculated formula	C20 H24 O3 Zn
Title of publication	Structural Diversity of Ethylzinc Carboxylates
Authors of publication	Grala, Agnieszka; Wolska-Pietkiewicz, Małgorzata; Wojewódzka, Anna; Dabergut, Monika; Justyniak, Iwona; Lewiński, Janusz
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	20
Pages of publication	4959
a	12.5821 ± 0.0003 Å
b	8.76091 ± 0.00001 Å
c	19.9503 ± 0.0004 Å
α	90°
β	121.974 ± 0.001°
γ	90°
Cell volume	1865.5 ± 0.06 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
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	0.0332
Residual factor for significantly intense reflections	0.0299
Weighted residual factors for significantly intense reflections	0.0745
Weighted residual factors for all reflections included in the refinement	0.0763
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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