Crystallography Open Database

Information card for entry 4106778

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Coordinates	4106778.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H Fe O3
Calculated formula	C4 H Fe O3
Title of publication	Selective Binding of O2 over N2 in a Redox-Active Metal-Organic Framework with Open Iron(II) Coordination Sites
Authors of publication	Eric D. Bloch; Leslie J. Murray; Wendy L. Queen; Sachin Chavan; Sergey N. Maximoff; Julian P. Bigi; Rajamani Krishna; Vanessa K. Peterson; Fernande Grandjean; Gary J. Long; Berend Smit; Silvia Bordiga; Craig M. Brown; Jeffrey R. Long
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	14814 - 14822
a	26.1627 ± 0.0021 Å
b	26.1627 Å
c	6.8422 ± 0.0007 Å
α	90°
β	90°
γ	120°
Cell volume	4055.9 ± 0.5 Å³
Number of distinct elements	4
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Goodness-of-fit parameter for all reflections	1.02
Method of determination	powder diffraction
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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