Crystallography Open Database

Information card for entry 4132485

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Coordinates	4132485.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C117 H62 O32 Zr6
Calculated formula	C117 H62 O32 Zr6
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	23.2664 ± 0.0008 Å
b	32.9221 ± 0.0012 Å
c	41.4807 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	31773.3 ± 1.9 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 K
Number of distinct elements	4
Space group number	71
Hermann-Mauguin space group symbol	I m m m
Hall space group symbol	-I 2 2
Residual factor for all reflections	0.1142
Residual factor for significantly intense reflections	0.0906
Weighted residual factors for significantly intense reflections	0.2848
Weighted residual factors for all reflections included in the refinement	0.3042
Goodness-of-fit parameter for all reflections included in the refinement	1.091
Diffraction radiation wavelength	0.41328 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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