Crystallography Open Database

Information card for entry 4316754

Preview

Coordinates	4316754.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	2,3,5,6-Tetrafluoro-benzoic acid
Formula	C7 H2 F4 O2
Calculated formula	C7 H2 F4 O2
Title of publication	Optimized Synthesis of Tetrafluoroterephthalic Acid: A Versatile Linking Ligand for the Construction of New Coordination Polymers and Metal-Organic Frameworks
Authors of publication	Andreas Orthaber; Christiane Seidel; Ferdinand Belaj; Jörg H. Albering; Rudolf Pietschnig; Uwe Ruschewitz
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	9350 - 9357
a	10.1937 ± 0.0015 Å
b	12.89 ± 0.003 Å
c	20.425 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	2683.8 ± 0.9 Å³
Cell temperature	95 ± 2 K
Ambient diffraction temperature	95 ± 2 K
Number of distinct elements	4
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0275
Residual factor for significantly intense reflections	0.0254
Weighted residual factors for significantly intense reflections	0.0609
Weighted residual factors for all reflections included in the refinement	0.0627
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179247 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/67.	4316754.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4316754.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4316754.cif
10260	2011-02-11	../uploads/cif-deposit/cod/cif Adding structures of 4316754 via cif-deposit CGI script.	4316754.cif