Crystallography Open Database

Information card for entry 2238917

Preview

Coordinates	2238917.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis(3-azaniumylpropyl)azanium hexachloridobismuthate(III) monohydrate
Formula	C6 H22 Bi Cl6 N3 O
Calculated formula	C6 H22 Bi Cl6 N3 O
SMILES	C(CC[NH2+]CCC[NH3+])[NH3+].[Bi]([Cl-])([Cl-])([Cl-])(Cl)(Cl)Cl.O
Title of publication	Bis(3-azaniumylpropyl)azanium hexachloridobismuthate(III) monohydrate
Authors of publication	Elfaleh, Nizar; Chouaib, Hassen; Kamoun, Slaheddine
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	12
Pages of publication	m666
a	7.6891 ± 0.0001 Å
b	10.8642 ± 0.0001 Å
c	11.9867 ± 0.0001 Å
α	93.349 ± 0.001°
β	108.509 ± 0.001°
γ	109.387 ± 0.001°
Cell volume	880.541 ± 0.019 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0338
Residual factor for significantly intense reflections	0.0212
Weighted residual factors for significantly intense reflections	0.0511
Weighted residual factors for all reflections included in the refinement	0.0567
Goodness-of-fit parameter for all reflections included in the refinement	0.92
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.	2238917.cif
92324	2014-01-12	cif/ Adding structures of 2238917 via cif-deposit CGI script.	2238917.cif