Crystallography Open Database

Information card for entry 4501580

Preview

Coordinates	4501580.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H16 Cu F4 N2 O5
Calculated formula	C21 H16 Cu F4 N2 O5
Title of publication	Dimensionality Trends in Metal−Organic Frameworks Containing Perfluorinated or Nonfluorinated Benzenedicarboxylates
Authors of publication	Hulvey, Zeric; Furman, Joshua D.; Turner, Sara A.; Tang, Min; Cheetham, Anthony K.
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	5
Pages of publication	2041
a	10.665 ± 0.002 Å
b	8.0467 ± 0.0016 Å
c	23.644 ± 0.004 Å
α	90°
β	92.984 ± 0.005°
γ	90°
Cell volume	2026.3 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1614
Residual factor for significantly intense reflections	0.0943
Weighted residual factors for significantly intense reflections	0.1635
Weighted residual factors for all reflections included in the refinement	0.19
Goodness-of-fit parameter for all reflections included in the refinement	1.083
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179546 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/15.	4501580.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501580.cif
35976	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4501568, 4501569, 4501570, 4501571, 4501572, 4501573, 4501574, 4501575, 4501576, 4501577, 4501578, 4501579, 4501580, 4501581, 4501582, 4501583, 4501584, 4501585, 4501586, 4501587 via cif-deposit CGI script.	4501580.cif