Crystallography Open Database

Information card for entry 1556557

Preview

Coordinates	1556557.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H28 Cl2 N4 Zn
Calculated formula	C13 H28 Cl2 N4 Zn
SMILES	[Zn]1(Cl)(Cl)[N]([C@@H]2C([C@@](CC2)([NH2]1)C)(C)C)=C(N(C)C)N(C)C
Title of publication	Reactivity of Zinc Halide Complexes Containing Camphor-Derived Guanidine Ligands with Technical rac-Lactide
Authors of publication	Metz, A.; Heck, J.; Gohlke, C.M.; Krockert, K.; Louven, Y.; McKeown, P.; Hoffmann, A.; Jones, M.D.; Herres-Pawlis, S.
Journal of publication	Inorganics
Year of publication	2017
Journal volume	5
Pages of publication	85
a	13.4778 ± 0.0017 Å
b	15.173 ± 0.002 Å
c	17.57 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	3593 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0579
Residual factor for significantly intense reflections	0.0438
Weighted residual factors for significantly intense reflections	0.0888
Weighted residual factors for all reflections included in the refinement	0.0942
Goodness-of-fit parameter for all reflections included in the refinement	0.946
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
245053 (current)	2019-12-13	cif/ Adding structures of 1556557 via cif-deposit CGI script.	1556557.cif