Crystallography Open Database

Information card for entry 1550986

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Coordinates	1550986.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H68 F12 O52 Zr6
Calculated formula	C56 H28 F12 O52 Zr6
Title of publication	Symmetry-guided syntheses of mixed-linker Zr metal-organic frameworks with precise linker locations
Authors of publication	Kim, Hyehyun; Kim, Dongwook; Moon, Dohyun; Choi, Yong Nam; Baek, Seung Bin; Lah, Myoung Soo
Journal of publication	Chemical Science
Year of publication	2019
a	11.677 ± 0.002 Å
b	17.804 ± 0.004 Å
c	25.696 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	5342.1 ± 1.8 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
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	0.0737
Residual factor for significantly intense reflections	0.0593
Weighted residual factors for significantly intense reflections	0.1848
Weighted residual factors for all reflections included in the refinement	0.1955
Goodness-of-fit parameter for all reflections included in the refinement	1.088
Diffraction radiation wavelength	0.7 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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