Crystallography Open Database

Information card for entry 4064595

Preview

Coordinates	4064595.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H52 Cu2 F6 N4 O2.5
Calculated formula	C60 H52 Cu2 F6 N4 O2.5
Title of publication	Cooperative Effect of Silver in Copper-Catalyzed Trifluoromethylation of Aryl Iodides Using Me3SiCF3
Authors of publication	Weng, Zhiqiang; Lee, Richmond; Jia, Weiguo; Yuan, Yaofeng; Wang, Wenfeng; Feng, Xue; Huang, Kuo-Wei
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	11
Pages of publication	3229
a	28.704 ± 0.01 Å
b	13.632 ± 0.005 Å
c	26.857 ± 0.009 Å
α	90°
β	95.297 ± 0.006°
γ	90°
Cell volume	10464 ± 6 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.206
Residual factor for significantly intense reflections	0.1279
Weighted residual factors for significantly intense reflections	0.3316
Weighted residual factors for all reflections included in the refinement	0.3719
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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