Crystallography Open Database

Information card for entry 7210539

Preview

Structure parameters

Formula	C20 H18 Br2 O4
Calculated formula	C20 H18 Br2 O4
SMILES	COC(=O)c1ccc(cc1)/C(=C(c1ccc(C(=O)OC)cc1)\CBr)CBr
Title of publication	Syntheses, structures and luminescent properties of decorated lanthanide metal-organic frameworks of (E)-4,4'-(ethene-1,2-diyl)dibenzoic acids
Authors of publication	Li, Yu; Song, Datong
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	6
Pages of publication	1821 - 1830
a	5.6686 ± 0.0002 Å
b	7.1886 ± 0.0003 Å
c	12.3615 ± 0.0005 Å
α	75.833 ± 0.002°
β	80.649 ± 0.001°
γ	79.137 ± 0.001°
Cell volume	476.06 ± 0.03 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0223
Residual factor for significantly intense reflections	0.0204
Weighted residual factors for significantly intense reflections	0.0515
Weighted residual factors for all reflections included in the refinement	0.0523
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7210539.html