Crystallography Open Database

Information card for entry 4103413

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Coordinates	4103413.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C252 Cl6 Mn6 N12 O38 Zn8
Calculated formula	C252 Cl6 Mn6 N12 O38 Zn8
Title of publication	Isoreticular Chiral Metal-Organic Frameworks for Asymmetric Alkene Epoxidation: Tuning Catalytic Activity by Controlling Framework Catenation and Varying Open Channel Sizes
Authors of publication	Feijie Song; Cheng Wang; Joseph M. Falkowski; Liqing Ma; Wenbin Lin
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	15390 - 15398
a	41.9263 ± 0.0008 Å
b	41.9263 ± 0.0008 Å
c	100.286 ± 0.004 Å
α	90°
β	90°
γ	120°
Cell volume	152667 ± 7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	146
Hermann-Mauguin space group symbol	R 3 :H
Hall space group symbol	R 3
Residual factor for all reflections	0.2239
Residual factor for significantly intense reflections	0.1659
Weighted residual factors for significantly intense reflections	0.3668
Weighted residual factors for all reflections included in the refinement	0.3937
Goodness-of-fit parameter for all reflections included in the refinement	1.19
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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