Crystallography Open Database

Information card for entry 4078893

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Coordinates	4078893.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H79 Si6 Zn3
Calculated formula	C39 H72 Si6 Zn3
Title of publication	1,3-Butadienylzinc Trimer Formed via Transmetalation from 1,4-Dilithio-1,3-butadienes: Synthesis, Structural Characterization, and Application in Negishi Cross-Coupling
Authors of publication	Zhou, Yi; Zhang, Wen-Xiong; Xi, Zhenfeng
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	15
Pages of publication	5546
a	20.106 ± 0.004 Å
b	13.786 ± 0.003 Å
c	38.576 ± 0.008 Å
α	90°
β	95.04 ± 0.03°
γ	90°
Cell volume	10651 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.2297
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for significantly intense reflections	0.0612
Weighted residual factors for all reflections included in the refinement	0.0787
Goodness-of-fit parameter for all reflections included in the refinement	0.586
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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