Crystallography Open Database

Information card for entry 7218429

Preview

Coordinates	7218429.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H38 Cu2 N6 O16 S2
Calculated formula	C26 H38 Cu2 N6 O16 S2
Title of publication	An efficient approach to the ammoxidation of alcohols to nitriles and the aerobic oxidation of alcohols to aldehydes in water using Cu(II)/pypzacac complexes as catalysts
Authors of publication	Xie, Jing-Bo; Bao, Jia-Jing; Li, Hong-Xi; Tan, Da-Wei; Li, Hai-Yan; Lang, Jian-Ping
Journal of publication	RSC Adv.
Year of publication	2014
a	9.9313 ± 0.0005 Å
b	10.6591 ± 0.0008 Å
c	10.9968 ± 0.0006 Å
α	112.268 ± 0.006°
β	114.296 ± 0.006°
γ	96.811 ± 0.005°
Cell volume	928.42 ± 0.14 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0474
Residual factor for significantly intense reflections	0.0373
Weighted residual factors for significantly intense reflections	0.0867
Weighted residual factors for all reflections included in the refinement	0.0919
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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