Crystallography Open Database

Information card for entry 2238820

Preview

Coordinates	2238820.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Poly[bis(ethanol)(μ~4~-2,3,5,6-tetrafluorobenzene-1,4-dicarboxylato)cadmium]
Formula	C12 H12 Cd F4 O6
Calculated formula	C12 H12 Cd F4 O6
Title of publication	Poly[bis(ethanol)(μ~4~-2,3,5,6-tetrafluorobenzene-1,4-dicarboxylato)cadmium]
Authors of publication	Ko, Nakeun; Kim, Jaheon
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	11
Pages of publication	m577 - m578
a	4.8367 ± 0.0003 Å
b	9.0903 ± 0.0006 Å
c	9.4078 ± 0.0006 Å
α	108.091 ± 0.001°
β	100.637 ± 0.001°
γ	102.275 ± 0.001°
Cell volume	369.95 ± 0.04 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0206
Residual factor for significantly intense reflections	0.0204
Weighted residual factors for significantly intense reflections	0.0542
Weighted residual factors for all reflections included in the refinement	0.0543
Goodness-of-fit parameter for all reflections	1.107
Goodness-of-fit parameter for all reflections included in the refinement	1.102
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176798 (current)	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2238820.cif
91241	2013-12-09	cif/ Adding structures of 2238820 via cif-deposit CGI script.	2238820.cif