Crystallography Open Database

Information card for entry 7247927

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Coordinates	7247927.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H3 Cl O4 Zn
Calculated formula	C8 H3 Cl 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	28.4445 ± 0.0005 Å
b	28.4445 ± 0.0005 Å
c	7.8224 ± 0.0001 Å
α	90°
β	90°
γ	120°
Cell volume	5481.09 ± 0.15 Å³
Cell temperature	295.15 K
Ambient diffraction temperature	295.15 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	0.0515
Residual factor for significantly intense reflections	0.0492
Weighted residual factors for significantly intense reflections	0.1553
Weighted residual factors for all reflections included in the refinement	0.1576
Goodness-of-fit parameter for all reflections included in the refinement	1.124
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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