Crystallography Open Database

Information card for entry 4132495

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Coordinates	4132495.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C63 H34 O16 Zr3
Calculated formula	C63 H33 O16 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	23.2646 ± 0.0012 Å
b	32.332 ± 0.0016 Å
c	21.5466 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	16207.2 ± 1.4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 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	0.0866
Residual factor for significantly intense reflections	0.0767
Weighted residual factors for significantly intense reflections	0.249
Weighted residual factors for all reflections included in the refinement	0.264
Goodness-of-fit parameter for all reflections included in the refinement	1.141
Diffraction radiation wavelength	0.41325 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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