Crystallography Open Database

Information card for entry 4129894

Preview

Coordinates	4129894.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C201 H280 F24 Mn4 N16 O27 S8
Calculated formula	C201 H280 F24 Mn4 N16 O27 S8
Title of publication	Proton-Promoted and Anion-Enhanced Epoxidation of Olefins by Hydrogen Peroxide in the Presence of Nonheme Manganese Catalysts.
Authors of publication	Miao, Chengxia; Wang, Bin; Wang, Yong; Xia, Chungu; Lee, Yong-Min; Nam, Wonwoo; Sun, Wei
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	3
Pages of publication	936 - 943
a	13.657 ± 0.0012 Å
b	18.8676 ± 0.0018 Å
c	45.656 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	11764.4 ± 1.8 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1487
Residual factor for significantly intense reflections	0.0946
Weighted residual factors for significantly intense reflections	0.2337
Weighted residual factors for all reflections included in the refinement	0.2578
Goodness-of-fit parameter for all reflections included in the refinement	1.007
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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