Crystallography Open Database

Information card for entry 4111482

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Coordinates	4111482.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H83 N4 O4.5 S2 Zn2
Calculated formula	C68 H83 N4 O4.5 S2 Zn2
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	24.4623 ± 0.001 Å
b	12.9181 ± 0.0003 Å
c	24.3219 ± 0.001 Å
α	90°
β	118.462 ± 0.001°
γ	90°
Cell volume	6756.9 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/a 1
Hall space group symbol	-P 2ya
Residual factor for all reflections	0.1097
Residual factor for significantly intense reflections	0.0717
Weighted residual factors for significantly intense reflections	0.2156
Weighted residual factors for all reflections included in the refinement	0.2316
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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