Crystallography Open Database

Information card for entry 4510900

Preview

Coordinates	4510900.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H18 Br8 N4 O4 Sb2
Calculated formula	C20 H16 Br8 N4 O4 Sb2
SMILES	c1cc(c2ccn(cc2)=O)ccn1=O.Br[Sb]1(Br)(Br)[Br][Sb](Br)([Br]1)(Br)Br.c1cc(ccn1=O)c1ccn(=O)cc1
Title of publication	ProtonatedN,N′-Dioxide-4,4′-bipyridine, an Interesting Synthon for the Building of Polar H-Bonded Networks?
Authors of publication	Leblanc, Nicolas; Allain, Magali; Mercier, Nicolas; Cariati, Elena
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	12
Pages of publication	5200
a	6.0397 ± 0.0009 Å
b	15.037 ± 0.001 Å
c	18.109 ± 0.002 Å
α	90°
β	99.52 ± 0.01°
γ	90°
Cell volume	1622 ± 0.3 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.0389
Weighted residual factors for all reflections included in the refinement	0.0811
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation probe	x-ray
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
179656 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/09.	4510900.cif
114181	2014-05-22	cif/ Adding structures of 4510900, 4510901, 4510902, 4510903, 4510904 via cif-deposit CGI script.	4510900.cif