Crystallography Open Database

Information card for entry 1556558

Preview

Coordinates	1556558.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H26 Cl2 N4 Zn
Calculated formula	C13 H26 Cl2 N4 Zn
SMILES	[Zn]1([NH2][C@@]2(C)C(C)(C)[C@@H]([N]1=C1N(CCN1C)C)CC2)(Cl)Cl
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	9.4718 ± 0.0016 Å
b	18.095 ± 0.003 Å
c	10.1331 ± 0.0018 Å
α	90°
β	103.908 ± 0.003°
γ	90°
Cell volume	1685.8 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.06
Residual factor for significantly intense reflections	0.0434
Weighted residual factors for significantly intense reflections	0.0885
Weighted residual factors for all reflections included in the refinement	0.0942
Goodness-of-fit parameter for all reflections included in the refinement	0.985
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
245054 (current)	2019-12-13	cif/ Adding structures of 1556558 via cif-deposit CGI script.	1556558.cif