Crystallography Open Database

Information card for entry 4125327

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Coordinates	4125327.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C366 H192 O66 Zr13
Calculated formula	C366 H192 O66 Zr13
Title of publication	Highly Porous Zirconium Metal-Organic Frameworks with β-UH3-like Topology Based on Elongated Tetrahedral Linkers
Authors of publication	Zhang, Xin; Zhang, Xu; Johnson, Jacob A.; Chen, Yu-Sheng; Zhang, Jian
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	27
Pages of publication	8380 - 8383
a	48.842 ± 0.008 Å
b	48.842 ± 0.008 Å
c	48.842 ± 0.008 Å
α	90°
β	90°
γ	90°
Cell volume	116515 ± 3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	223
Hermann-Mauguin space group symbol	P m -3 n
Hall space group symbol	-P 4n 2 3
Residual factor for all reflections	0.1453
Residual factor for significantly intense reflections	0.1056
Weighted residual factors for significantly intense reflections	0.3037
Weighted residual factors for all reflections included in the refinement	0.3258
Goodness-of-fit parameter for all reflections included in the refinement	1.168
Diffraction radiation wavelength	0.41328 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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