Crystallography Open Database

Information card for entry 2238850

Preview

Coordinates	2238850.cif
Original IUCr paper	HTML

Structure parameters

Common name	(C7H10NO)2.SnBr6.2H2O
Chemical name	Bis(2-methoxyanilinium) hexabromidostannate(IV) dihydrate
Formula	C14 H24 Br6 N2 O4 Sn
Calculated formula	C14 H24 Br6 N2 O4 Sn
SMILES	c1(c(OC)cccc1)[NH3+].O.[Br-].Br[Sn](Br)(Br)Br.c1(c(cccc1)OC)[NH3+].O.[Br-]
Title of publication	Bis(2-methoxyanilinium) hexabromidostannate(IV) dihydrate
Authors of publication	Chouaib, Hassen; Karoui, Sahel; Kamoun, Slaheddine; Michaud, Francois
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	12
Pages of publication	m678 - m679
a	10.8728 ± 0.0007 Å
b	13.4403 ± 0.001 Å
c	9.0695 ± 0.0006 Å
α	90°
β	103.68 ± 0.005°
γ	90°
Cell volume	1287.76 ± 0.16 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/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.0695
Residual factor for significantly intense reflections	0.0611
Weighted residual factors for significantly intense reflections	0.1484
Weighted residual factors for all reflections included in the refinement	0.1561
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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
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.	2238850.cif
92083	2014-01-12	cif/ Adding structures of 2238850 via cif-deposit CGI script.	2238850.cif