Crystallography Open Database

Information card for entry 7247929

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Coordinates	7247929.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H3 I O4 Zn
Calculated formula	C8 H3 I O4 Zn
Title of publication	Torsional flexibility in zinc-benzenedicarboxylate metal-organic frameworks.
Authors of publication	Meekel, Emily G.; Nicholas, Thomas C.; Slater, Ben; Goodwin, Andrew L.
Journal of publication	CrystEngComm
Year of publication	2024
Journal volume	26
Journal issue	5
Pages of publication	673 - 680
a	28.5799 ± 0.0004 Å
b	28.5799 ± 0.0004 Å
c	8.0913 ± 0.0001 Å
α	90°
β	90°
γ	120°
Cell volume	5723.61 ± 0.13 Å³
Cell temperature	290.15 K
Ambient diffraction temperature	290.15 K
Number of distinct elements	5
Space group number	166
Hermann-Mauguin space group symbol	R -3 m :H
Hall space group symbol	-R 3 2"
Residual factor for all reflections	0.067
Residual factor for significantly intense reflections	0.0666
Weighted residual factors for significantly intense reflections	0.2117
Weighted residual factors for all reflections included in the refinement	0.2121
Goodness-of-fit parameter for all reflections included in the refinement	1.118
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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