Crystallography Open Database

Information card for entry 4078410

Preview

Structure parameters

Formula	C20 H31 N3 O Si2 Zn
Calculated formula	C20 H31 N3 O Si2 Zn
SMILES	[Zn]12(OC(=CC(=[N]1c1c3[n]2cccc3ccc1)C)C)N([Si](C)(C)C)[Si](C)(C)C
Title of publication	Synthesis and Structures of Tridentate Ketoiminate Zinc Complexes That Act Asl-Lactide Ring-Opening Polymerization Catalysts
Authors of publication	Roberts, Courtney C.; Barnett, Brandon R.; Green, David B.; Fritsch, Joseph M.
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	11
Pages of publication	4133
a	10.1315 ± 0.0005 Å
b	10.2865 ± 0.0005 Å
c	11.0789 ± 0.0005 Å
α	90°
β	102.196 ± 0.001°
γ	90°
Cell volume	1128.56 ± 0.09 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.022
Residual factor for significantly intense reflections	0.0208
Weighted residual factors for significantly intense reflections	0.0468
Weighted residual factors for all reflections included in the refinement	0.0471
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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
301830 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/07/ Each referenced PubChem compound corresponds to the full crystal structure.	4078410.cif
178673	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 4/07/84.	4078410.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4078410.cif
62380	2012-07-07	cif/ Adding structures of 4078410, 4078411, 4078412, 4078413 via cif-deposit CGI script.	4078410.cif