Crystallography Open Database

Information card for entry 1551748

Preview

Coordinates	1551748.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	bis(N,N,N',N'- tetramethyl-ethylenediammonium) decachlorodibismuthate (III) trihydrate
Formula	C6 H21 Bi Cl5 N2 O1.5
Calculated formula	C6 H21 Bi Cl5 N2 O1.5
SMILES	C(C[NH+](C)C)[NH+](C)C.[Bi](Cl)([Cl-])(Cl)Cl.O.[Cl-].O
Title of publication	Synthesis and Crystal Structure of Bis(N,N,N′,N′-tetramethyl-ethylenediammonium)decachlorodibismuthate(III) trihydrate
Authors of publication	MASMOUDI, W.; KAMOUN, S.; AYEDI, HF.; DRISS, A.
Journal of publication	X-ray Structure Analysis Online
Year of publication	2010
Journal volume	26
Pages of publication	7
a	13.535 ± 0.004 Å
b	14.893 ± 0.005 Å
c	10.158 ± 0.004 Å
α	90°
β	121.54 ± 0.03°
γ	90°
Cell volume	1745.1 ± 1.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0389
Residual factor for significantly intense reflections	0.0318
Weighted residual factors for significantly intense reflections	0.0743
Weighted residual factors for all reflections included in the refinement	0.0771
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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
278190 (current)	2022-09-26	cif/1 Fixing Z values and formulae	1551748.cif
216360	2019-06-20	cif/ Adding structures of 1551748 via cif-deposit CGI script.	1551748.cif