Crystallography Open Database

Information card for entry 4067542

Preview

Coordinates	4067542.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H21 I N2 Zn
Calculated formula	C14 H21 I N2 Zn
SMILES	C12C(C=CC(=CC=1)I)=[N]([Zn](C)N2C(C)C)C(C)C
Title of publication	Functionalized Aminotroponiminate Zinc Complexes as Catalysts for the Intramolecular Hydroamination of Alkenes
Authors of publication	Dochnahl, Maximilian; Löhnwitz, Karolin; Lühl, Anja; Pissarek, Jens-Wolfgang; Biyikal, Mustafa; Roesky, Peter W.; Blechert, Siegfried
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	12
Pages of publication	2637
a	15.1756 ± 0.001 Å
b	8.5077 ± 0.0007 Å
c	25.432 ± 0.0019 Å
α	90°
β	100.226 ± 0.006°
γ	90°
Cell volume	3231.4 ± 0.4 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
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	0.086
Residual factor for significantly intense reflections	0.0473
Weighted residual factors for significantly intense reflections	0.1004
Weighted residual factors for all reflections included in the refinement	0.1118
Goodness-of-fit parameter for all reflections included in the refinement	0.917
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178566 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/75.	4067542.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4067542.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4067542.cif
34225	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4067541, 4067542, 4067543, 4067544 via cif-deposit CGI script.	4067542.cif