Crystallography Open Database

Information card for entry 7043461

Preview

Coordinates	7043461.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H38 N2 O2 Zn2
Calculated formula	C34 H38 N2 O2 Zn2
SMILES	c12C(=C([O]3[Zn]([n]2cccc1)(CC)[O]1C(=C(c2cccc[n]2[Zn]31CC)C)c1c(cccc1)C)c1c(cccc1)C)C
Title of publication	β-Pyridylenolate zinc catalysts for the ring-opening homo- and copolymerization of ε-caprolactone and lactides
Authors of publication	Bai, Jianliang; Xiao, Xia; Zhang, Yue; Chao, Jianbin; Chen, Xia
Journal of publication	Dalton Trans.
Year of publication	2017
a	8.3871 ± 0.0017 Å
b	18.253 ± 0.004 Å
c	10.316 ± 0.002 Å
α	90°
β	101.63 ± 0.03°
γ	90°
Cell volume	1546.9 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0633
Residual factor for significantly intense reflections	0.0582
Weighted residual factors for significantly intense reflections	0.2623
Weighted residual factors for all reflections included in the refinement	0.2703
Goodness-of-fit parameter for all reflections included in the refinement	1.001
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
198190 (current)	2017-06-28	cif/ Adding structures of 7043460, 7043461, 7043462, 7043463, 7043464, 7043465, 7043466, 7043467, 7043468, 7043469 via cif-deposit CGI script.	7043461.cif