Crystallography Open Database

Information card for entry 4128230

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Coordinates	4128230.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H12 Fe3 N3 O16
Calculated formula	C24 H12 Fe3 N3 O16
Title of publication	A Single-Crystal Open-Capsule Metal-Organic Framework.
Authors of publication	Wei, Yong-Sheng; Zhang, Mei; Kitta, Mitsunori; Liu, Zheng; Horike, Satoshi; Xu, Qiang
Journal of publication	Journal of the American Chemical Society
Year of publication	2019
Journal volume	141
Journal issue	19
Pages of publication	7906 - 7916
a	12.9009 ± 0.001 Å
b	12.9009 ± 0.001 Å
c	18.2641 ± 0.001 Å
α	90°
β	90°
γ	120°
Cell volume	2632.5 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150.15 K
Number of distinct elements	5
Space group number	194
Hermann-Mauguin space group symbol	P 63/m m c
Hall space group symbol	-P 6c 2c
Residual factor for all reflections	0.0833
Residual factor for significantly intense reflections	0.0626
Weighted residual factors for significantly intense reflections	0.2096
Weighted residual factors for all reflections included in the refinement	0.2274
Goodness-of-fit parameter for all reflections included in the refinement	1.159
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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