Crystallography Open Database

Information card for entry 4111123

Preview

Coordinates	4111123.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59.35 H60.15 B F15 N4 O3 Zn2
Calculated formula	C59.35 H60.15 B F15 N4 O3 Zn2
Title of publication	Cationic Zinc Enolates as Highly Active Catalysts for Acrylate Polymerization
Authors of publication	Logan E. Garner; Hongping Zhu; Mark L. Hlavinka; John R. Hagadorn; Eugene Y.-X. Chen
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	14822 - 14823
a	14.004 ± 0.0003 Å
b	15.699 ± 0.0006 Å
c	16.6964 ± 0.0004 Å
α	109.117 ± 0.002°
β	113.384 ± 0.001°
γ	98.152 ± 0.002°
Cell volume	3023.03 ± 0.17 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1737
Residual factor for significantly intense reflections	0.0655
Weighted residual factors for significantly intense reflections	0.148
Weighted residual factors for all reflections included in the refinement	0.1855
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	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178882 (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 4/11/11.	4111123.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111123.cif
60647	2012-06-15	cif/ Adding structures of 4111123 via cif-deposit CGI script.	4111123.cif