Crystallography Open Database

Information card for entry 4131665

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Coordinates	4131665.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C132 H78 N24 O39 Zn12
Calculated formula	C133 H78 N21 O39 Zn12
Title of publication	Engineering of Pore Geometry for Ultrahigh Capacity Methane Storage in Mesoporous Metal-Organic Frameworks.
Authors of publication	Liang, Cong-Cong; Shi, Zhao-Lin; He, Chun-Ting; Tan, Jing; Zhou, Hu-Die; Zhou, Hao-Long; Lee, Yongjin; Zhang, Yue-Biao
Journal of publication	Journal of the American Chemical Society
Year of publication	2017
Journal volume	139
Journal issue	38
Pages of publication	13300 - 13303
a	44.192 ± 0.006 Å
b	44.192 ± 0.006 Å
c	54.961 ± 0.011 Å
α	90°
β	90°
γ	120°
Cell volume	92955 ± 3 Å³
Cell temperature	298.15 K
Ambient diffraction temperature	298.15 K
Number of distinct elements	5
Space group number	176
Hermann-Mauguin space group symbol	P 63/m
Hall space group symbol	-P 6c
Residual factor for all reflections	0.1208
Residual factor for significantly intense reflections	0.1108
Weighted residual factors for significantly intense reflections	0.3684
Weighted residual factors for all reflections included in the refinement	0.39
Goodness-of-fit parameter for all reflections included in the refinement	1.778
Diffraction radiation wavelength	0.7293 Å
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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