Crystallography Open Database

Information card for entry 2239075

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Structure parameters

Common name	caesium cinnamate cinnamic acid
Chemical name	Poly[μ~5~-{hydrogen bis[(<i>E</i>)-cinnamato]}-caesium]
Formula	C18 H15 Cs O4
Calculated formula	C18 H15 Cs O4
SMILES	[Cs+].OC(=O)/C=C/c1ccccc1.[O-]C(=O)/C=C/c1ccccc1
Title of publication	Poly[μ~5~-{hydrogen bis[(<i>E</i>)-cinnamato]}-caesium]
Authors of publication	Smith, Graham
Journal of publication	Acta Crystallographica Section E
Year of publication	2014
Journal volume	70
Journal issue	2
Pages of publication	m43 - m44
a	7.8608 ± 0.0006 Å
b	5.6985 ± 0.0007 Å
c	38.817 ± 0.003 Å
α	90°
β	98.733 ± 0.006°
γ	90°
Cell volume	1718.6 ± 0.3 Å³
Cell temperature	200 ± 1 K
Ambient diffraction temperature	200 ± 1 K
Number of distinct elements	4
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0912
Residual factor for significantly intense reflections	0.0708
Weighted residual factors for significantly intense reflections	0.1352
Weighted residual factors for all reflections included in the refinement	0.1435
Goodness-of-fit parameter for all reflections included in the refinement	1.186
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181890 (current)	2016-04-06	hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/90.	2239075.cif 2239075.hkl
181309	2016-04-03	hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/90.	2239075.cif 2239075.hkl
176798	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.	2239075.cif 2239075.hkl
104954	2014-03-11	cif/ hkl/ Adding structures of 2239075 via cif-deposit CGI script.	2239075.cif 2239075.hkl