Crystallography Open Database

Information card for entry 1547971

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Coordinates	1547971.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H28 N9 O13 Zn3
Calculated formula	C42 H18 N9 O13 Zn3
Title of publication	An ultra-tunable platform for molecular engineering of high-performance crystalline porous materials
Authors of publication	Quan-Guo Zhai; Xianhui Bu; Chengyu Mao; Xiang Zhao; Luke Daemen; Yongqiang Cheng; Anibal J. Ramirez-Cuesta; Pingyun Feng
Journal of publication	Nature Communications
Year of publication	2016
Journal volume	7
Pages of publication	13645
a	17.0539 ± 0.0004 Å
b	17.0539 ± 0.0004 Å
c	14.9837 ± 0.0007 Å
α	90°
β	90°
γ	120°
Cell volume	3774 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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	0.0585
Residual factor for significantly intense reflections	0.0501
Weighted residual factors for significantly intense reflections	0.1545
Weighted residual factors for all reflections included in the refinement	0.1611
Goodness-of-fit parameter for all reflections included in the refinement	0.98
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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