Crystallography Open Database

Information card for entry 7248218

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Coordinates	7248218.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C81 H93 Fe3 N12 O24
Calculated formula	C57 H37 Fe3 N4 O16
Title of publication	Synthesis of an iron-based metal–organic framework with octahedral cages for the selective capture of sulfur hexafluoride
Authors of publication	Wang, Hao; Shi, Le; Cao, Honghao; Xiong, Zhangyi; Ma, Si; Pan, Jun; Chen, Zhijie
Journal of publication	CrystEngComm
Year of publication	2024
Journal volume	26
Journal issue	13
Pages of publication	1912 - 1916
a	34.238 ± 0.002 Å
b	16.0211 ± 0.0009 Å
c	33.7881 ± 0.0017 Å
α	90°
β	91.078 ± 0.001°
γ	90°
Cell volume	18530.5 ± 1.8 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0814
Residual factor for significantly intense reflections	0.0673
Weighted residual factors for significantly intense reflections	0.1948
Weighted residual factors for all reflections included in the refinement	0.2118
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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