Crystallography Open Database

Information card for entry 4132490

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Coordinates	4132490.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H26 O18 Zr3
Calculated formula	C54 H26 O18 Zr3
Title of publication	Topology-Guided Stepwise Insertion of Three Secondary Linkers in Zirconium Metal-Organic Frameworks.
Authors of publication	Zhang, Xin; Frey, Brandon L.; Chen, Yu-Sheng; Zhang, Jian
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	24
Pages of publication	7710 - 7715
a	23.361 ± 0.003 Å
b	33.409 ± 0.004 Å
c	20.691 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	16149 ± 3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	4
Space group number	65
Hermann-Mauguin space group symbol	C m m m
Hall space group symbol	-C 2 2
Residual factor for all reflections	0.1032
Residual factor for significantly intense reflections	0.0886
Weighted residual factors for significantly intense reflections	0.2616
Weighted residual factors for all reflections included in the refinement	0.2858
Goodness-of-fit parameter for all reflections included in the refinement	1.109
Diffraction radiation wavelength	0.41325 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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