Crystallography Open Database

Information card for entry 4110526

Preview

Coordinates	4110526.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H30 N2 Zn
Calculated formula	C14 H30 N2 Zn
SMILES	[Zn]1([N](CC[N]1(C)C)(C)C)(C=C(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	16.0491 ± 0.0009 Å
b	11.6123 ± 0.0007 Å
c	9.0954 ± 0.0005 Å
α	90°
β	102.39 ± 0.002°
γ	90°
Cell volume	1655.6 ± 0.16 Å³
Cell temperature	143 ± 1 K
Ambient diffraction temperature	143 ± 1 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	0.043
Residual factor for significantly intense reflections	0.039
Weighted residual factors for significantly intense reflections	0.1132
Weighted residual factors for all reflections included in the refinement	0.1154
Goodness-of-fit parameter for all reflections included in the refinement	1.184
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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