Crystallography Open Database

Information card for entry 4132492

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Coordinates	4132492.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H30 O24 Zr3
Calculated formula	C60 H30 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	21.1374 ± 0.0011 Å
b	33.1766 ± 0.0018 Å
c	21.4671 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	15054.2 ± 1.3 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273.15 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	0.1176
Residual factor for significantly intense reflections	0.1027
Weighted residual factors for significantly intense reflections	0.326
Weighted residual factors for all reflections included in the refinement	0.3457
Goodness-of-fit parameter for all reflections included in the refinement	1.483
Diffraction radiation wavelength	0.41328 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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