Crystallography Open Database

Information card for entry 4134951

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Coordinates	4134951.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H38 I0 N0 O17 Zr3
Calculated formula	C58 H38 O17 Zr3
Title of publication	Topology-Based Functionalization of Robust Chiral Zr-Based Metal-Organic Frameworks for Catalytic Enantioselective Hydrogenation.
Authors of publication	Jiang, Hong; Zhang, Wenqiang; Kang, Xing; Cao, Ziping; Chen, Xu; Liu, Yan; Cui, Yong
Journal of publication	Journal of the American Chemical Society
Year of publication	2020
Journal volume	142
Journal issue	21
Pages of publication	9642 - 9652
a	30.5594 ± 0.0014 Å
b	30.5594 ± 0.0014 Å
c	25.331 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	20487 ± 3 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	6
Space group number	155
Hermann-Mauguin space group symbol	R 3 2 :H
Hall space group symbol	R 3 2"
Residual factor for all reflections	0.0845
Residual factor for significantly intense reflections	0.0685
Weighted residual factors for significantly intense reflections	0.1814
Weighted residual factors for all reflections included in the refinement	0.204
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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