Crystallography Open Database

Information card for entry 4110525

Preview

Coordinates	4110525.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H18 N2 Zn
Calculated formula	C16 H18 N2 Zn
SMILES	[Zn]1([n]2ccccc2c2[n]1cccc2)(C(=C)C)C(=C)C
Title of publication	Unprecedented Alkene Complex of Zinc(II): Structures and Bonding of Divinylzinc Complexes
Authors of publication	Alfred Wooten; Patrick J. Carroll; Aaron G. Maestri; Patrick J. Walsh
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	4624 - 4631
a	7.6512 ± 0.0005 Å
b	10.1283 ± 0.0005 Å
c	10.8664 ± 0.0006 Å
α	67.896 ± 0.006°
β	73.652 ± 0.006°
γ	78.542 ± 0.007°
Cell volume	744.56 ± 0.08 Å³
Cell temperature	143 ± 1 K
Ambient diffraction temperature	143 ± 1 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0248
Residual factor for significantly intense reflections	0.022
Weighted residual factors for significantly intense reflections	0.0543
Weighted residual factors for all reflections included in the refinement	0.0554
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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