Crystallography Open Database

Information card for entry 4100632

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Coordinates	4100632.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	IRMOP-51t
Formula	C212.5 H100 Fe12 N36.5 O90 S12
Calculated formula	C212.5 H100 Fe12 N36.5 O90 S12
Title of publication	Design, Synthesis, Structure, and Gas (N2, Ar, CO2, CH4 and H2) Sorption Properties of Porous Metal-Organic Tetrahedral and Heterocuboidal Polyhedra
Authors of publication	Andrea C. Sudik; Andrew R. Millward; Nathan W. Ockwig; Adrien P. Cote; Jaheon Kim; Omar M. Yaghi
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
a	25.8626 ± 0.0009 Å
b	26.8359 ± 0.0009 Å
c	28.1926 ± 0.001 Å
α	75.138 ± 0.001°
β	88.568 ± 0.001°
γ	63.783 ± 0.001°
Cell volume	16878.6 ± 1 Å³
Cell temperature	258 ± 2 K
Ambient diffraction temperature	258 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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