Crystallography Open Database

Information card for entry 4075562

Preview

Coordinates	4075562.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H17 N O Zn
Calculated formula	C12 H17 N O Zn
Title of publication	Aminotroponate Zinc Complexes as Catalysts for the Intramolecular Hydroamination of Alkenes and Alkynes
Authors of publication	Meyer, Nils; Löhnwitz, Karolin; Zulys, Agustino; Roesky, Peter W.; Dochnahl, Maximilian; Blechert, Siegfried
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	15
Pages of publication	3730
a	8.2534 ± 0.001 Å
b	8.7691 ± 0.0011 Å
c	9.6387 ± 0.0013 Å
α	77.741 ± 0.01°
β	87.096 ± 0.011°
γ	61.936 ± 0.009°
Cell volume	600.56 ± 0.14 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0321
Residual factor for significantly intense reflections	0.0257
Weighted residual factors for significantly intense reflections	0.0598
Weighted residual factors for all reflections included in the refinement	0.0619
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
178644 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/55.	4075562.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075562.cif
49312	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4075561, 4075562 via cif-deposit CGI script.	4075562.cif