Crystallography Open Database

Information card for entry 4132862

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Coordinates	4132862.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H8 O16 Zr3
Calculated formula	C12 H8 O16 Zr3
Title of publication	Zigzag Ligands for Transversal Design in Reticular Chemistry: Unveiling New Structural Opportunities for Metal-Organic Frameworks.
Authors of publication	Guillerm, Vincent; Grancha, Thais; Imaz, Inhar; Juanhuix, Judith; Maspoch, Daniel
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	32
Pages of publication	10153 - 10157
a	16.68 Å
b	16.68 Å
c	17.94 Å
α	90°
β	90°
γ	90°
Cell volume	4991.31 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	139
Hermann-Mauguin space group symbol	I 4/m m m
Hall space group symbol	-I 4 2
Residual factor for all reflections	0.1488
Residual factor for significantly intense reflections	0.138
Weighted residual factors for significantly intense reflections	0.3859
Weighted residual factors for all reflections included in the refinement	0.3986
Goodness-of-fit parameter for all reflections included in the refinement	1.655
Diffraction radiation wavelength	0.71656 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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