Crystallography Open Database

Information card for entry 4060719

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Coordinates	4060719.cif

Structure parameters

Formula	C64 H96 Cl4 N4 O4 S2 Zn2
Calculated formula	C64 H96 Cl4 N4 O4 S2 Zn2
SMILES	S1(=[O][Zn]2([N](=C(C=C(C)N2c2c(C(C)C)cccc2C(C)C)C)c2c(cccc2C(C)C)C(C)C)OS(=[O][Zn]2(O1)[N](=C(C=C(C)N2c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C)CC)CC.C(Cl)Cl.C(Cl)Cl
Title of publication	The Etylsulfinate Ligand: A Highly Efficient Initiating Group for the Zinc beta-Diiminate Catalyzed Copolymerization Reaction of CO2 and Epoxides
Authors of publication	Eberhardt, Robert; Allmendinger, Markus; Luinstra, Gerrit, A.; Rieger, Bernhard
Journal of publication	Organometallics
Year of publication	2003
a	20.752 ± 0.004 Å
b	12.4136 ± 0.0016 Å
c	27.113 ± 0.005 Å
α	90°
β	101.19 ± 0.02°
γ	90°
Cell volume	6852 ± 2 Å³
Cell temperature	220 ± 2 K
Ambient diffraction temperature	220 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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