Crystallography Open Database

Information card for entry 4132489

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Coordinates	4132489.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H28 O16 Zr3
Calculated formula	C55 H28 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	23.1484 ± 0.0012 Å
b	33.0429 ± 0.0017 Å
c	20.6518 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	15796.4 ± 1.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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	0.1321
Residual factor for significantly intense reflections	0.0905
Weighted residual factors for significantly intense reflections	0.2611
Weighted residual factors for all reflections included in the refinement	0.3141
Goodness-of-fit parameter for all reflections included in the refinement	1.309
Diffraction radiation wavelength	0.41328 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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