Crystallography Open Database

Information card for entry 4114153

Preview

Coordinates	4114153.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H80 N4 O4 Zn2
Calculated formula	C44 H80 N4 O4 Zn2
Title of publication	A Highly Active Zinc Catalyst for the Controlled Polymerization of Lactide
Authors of publication	Charlotte K. Williams; Laurie E. Breyfogle; Sun Kyung Choi; Wonwoo Nam; Victor G. Young; Marc A. Hillmyer; William B. Tolman
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	11350 - 11359
a	38.339 ± 0.003 Å
b	17.0503 ± 0.0015 Å
c	17.3185 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	11321 ± 1.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0964
Residual factor for significantly intense reflections	0.0514
Weighted residual factors for significantly intense reflections	0.1182
Weighted residual factors for all reflections included in the refinement	0.1318
Goodness-of-fit parameter for all reflections included in the refinement	0.947
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178912 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/41.	4114153.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114153.cif
67436	2012-09-26	cif/ Adding structures of 4114153 via cif-deposit CGI script.	4114153.cif