Crystallography Open Database

Information card for entry 4111481

Preview

Structure parameters

Formula	C52 H50 N4
Calculated formula	C52 H50 N4
SMILES	N(=C\c1ccccc1Nc1c(cccc1C)C)/c1c(cc(c2ccccc2c2cc(c(/N=C/c3ccccc3Nc3c(cccc3C)C)c(c2)C)C)cc1C)C
Title of publication	Bimetallic Anilido-Aldimine Zinc Complexes for Epoxide/CO2 Copolymerization
Authors of publication	Bun Yeoul Lee; Heon Yong Kwon; Su Yeon Lee; Sung Jae Na; Song-i Han; Hoseop Yun; Hyosun Lee; Young-Whan Park
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
Journal volume	127
Pages of publication	3031 - 3037
a	8.1137 ± 0.0005 Å
b	13.1016 ± 0.0007 Å
c	39.0663 ± 0.0014 Å
α	90°
β	92.2016 ± 0.0003°
γ	90°
Cell volume	4149.8 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
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	0.1079
Residual factor for significantly intense reflections	0.0528
Weighted residual factors for significantly intense reflections	0.1026
Weighted residual factors for all reflections included in the refinement	0.1234
Goodness-of-fit parameter for all reflections included in the refinement	1.006
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4111481.html