Crystallography Open Database

Information card for entry 4067158

Preview

Coordinates	4067158.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H59 N3 Zn
Calculated formula	C39 H59 N3 Zn
SMILES	[Zn]1([N](=C(N1c1c(cccc1C(C)C)C(C)C)C(C)(C)C)c1c(cccc1C(C)C)C(C)C)([n]1ccc(cc1)C(C)(C)C)C
Title of publication	Synthesis and Structural Characterization of New Zinc Amidinate Complexes
Authors of publication	Schmidt, Sarah; Schulz, Stephan; Bläser, Dieter; Boese, Roland; Bolte, Michael
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	22
Pages of publication	6097
a	10.5083 ± 0.0004 Å
b	26.5691 ± 0.001 Å
c	13.8378 ± 0.0005 Å
α	90°
β	103.224 ± 0.001°
γ	90°
Cell volume	3761 ± 0.2 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	0.039
Residual factor for significantly intense reflections	0.0321
Weighted residual factors for significantly intense reflections	0.0742
Weighted residual factors for all reflections included in the refinement	0.0766
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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