Crystallography Open Database

Information card for entry 7026170

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Structure parameters

Formula	C35 H63 N3 O2 Si2 Zn
Calculated formula	C35 H63 N3 O2 Si2 Zn
SMILES	[Zn]12([N](Cc3c(c(cc(c3)C)C(C)(C)C)O2)(Cc2c(c(cc(c2)C)C(C)(C)C)OC)CC[N]1(C)C)N([Si](C)(C)C)[Si](C)(C)C
Title of publication	Zinc complexes supported by multidentate aminophenolate ligands: synthesis, structure and catalysis in ring-opening polymerization of rac-lactide.
Authors of publication	Wang, Liying; Ma, Haiyan
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	34
Pages of publication	7897 - 7910
a	8.925 ± 0.001 Å
b	24.604 ± 0.003 Å
c	18.129 ± 0.002 Å
α	90°
β	95.663 ± 0.002°
γ	90°
Cell volume	3961.5 ± 0.8 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
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	0.096
Residual factor for significantly intense reflections	0.0467
Weighted residual factors for significantly intense reflections	0.0955
Weighted residual factors for all reflections included in the refinement	0.1155
Goodness-of-fit parameter for all reflections included in the refinement	1.009
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
301848 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure.	7026170.cif
179967	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/61.	7026170.cif
93426	2014-01-13	cif/ Adding structures of 7026169, 7026170, 7026171, 7026172, 7026173 via cif-deposit CGI script.	7026170.cif