Crystallography Open Database

Information card for entry 7101348

Preview

Coordinates	7101348.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H30 N2 Zn
Calculated formula	C20 H30 N2 Zn
SMILES	c12cccccc1=[N](C1CCCCC1)[Zn](C)N2C1CCCCC1
Title of publication	A New Homogeneous Zinc Complex with Increased Reactivity for the Intramolecular Hydroamination of Alkenes
Authors of publication	S.Blechert; Maximillian Dochnahl; Karolin Lohnwitz; Jens-Wolfgang Pissarek; Peter Roesky
Journal of publication	Chemical Communications
Year of publication	2006
Journal issue	32
a	9.7358 ± 0.0007 Å
b	11.0097 ± 0.0008 Å
c	20.076 ± 0.0013 Å
α	76.685 ± 0.005°
β	86.477 ± 0.006°
γ	64.209 ± 0.005°
Cell volume	1883.6 ± 0.2 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 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	0.0461
Residual factor for significantly intense reflections	0.0341
Weighted residual factors for significantly intense reflections	0.083
Weighted residual factors for all reflections included in the refinement	0.0874
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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