Crystallography Open Database

Information card for entry 1505777

Preview

Coordinates	1505777.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H46 Br2 N4 O3 Zn2
Calculated formula	C30 H46 Br2 N4 O3 Zn2
SMILES	Brc1cc2C=[N]3[Zn]4([O]([Zn]56([O]4c4c(C=[N]6CC[N]5(C)C)cc(Br)cc4)CC)c2cc1)([N](C)(C)CC3)CC.O1CCCC1
Title of publication	Ring-Opening Polymerization of Lactides Initiated by Zinc Alkoxides Derived from NNO-Tridentate Ligands
Authors of publication	Chen, Hsuan-Ying; Tang, Hui-Yi; Lin, Chu-Chieh
Journal of publication	Macromolecules
Year of publication	2006
Journal volume	39
Journal issue	11
Pages of publication	3745 - 3752
a	11.466 ± 0.005 Å
b	14.302 ± 0.007 Å
c	21.437 ± 0.01 Å
α	90°
β	95.185 ± 0.011°
γ	90°
Cell volume	3501 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1824
Residual factor for significantly intense reflections	0.0754
Weighted residual factors for significantly intense reflections	0.1745
Weighted residual factors for all reflections included in the refinement	0.2195
Goodness-of-fit parameter for all reflections included in the refinement	0.885
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
219203 (current)	2019-10-09	cif/1/ Updated bibliographic information in entries 1505775-1505780, 1513272, 1516740.	1505777.cif
176729	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1505777.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505777.cif
47732	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1505777 via cif-deposit CGI script.	1505777.cif