Crystallography Open Database

Information card for entry 2241243

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Structure parameters

Common name	<i>catena</i>-Poly[<i>p</i>-4-methoxyanilinium [[diiodidobismuthate(III)]-di-μ-iodido] dihydrate]
Chemical name	<i>catena</i>-Poly[<i>p</i>-anisidinium [[diiodidobismuthate(III)]-di-μ-iodido]] dihydrate]
Formula	C7 H14 Bi I4 N O3
Calculated formula	C7 H14 Bi I4 N O3
SMILES	[NH3+]c1ccc(OC)cc1.[Bi]1([I][Bi]([I]1)(I)(I)I)(I)(I)I.O.O.[NH3+]c1ccc(OC)cc1.O.O
Title of publication	Synthesis and structural studies of a new complex of <i>catena</i>-poly[<i>p</i>-anisidinium [[diiodidobismuthate(III)]-di-μ-iodido] dihydrate]
Authors of publication	Touati, Mohamed El Mehdi; Elleuch, S.; Boughzala, Habib
Journal of publication	Acta Crystallographica Section E
Year of publication	2015
Journal volume	71
Journal issue	11
Pages of publication	1352 - 1355
a	7.779 ± 0.002 Å
b	12.747 ± 0.002 Å
c	18.252 ± 0.003 Å
α	90°
β	94.97 ± 0.01°
γ	90°
Cell volume	1803 ± 0.6 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0563
Residual factor for significantly intense reflections	0.0352
Weighted residual factors for significantly intense reflections	0.0739
Weighted residual factors for all reflections included in the refinement	0.0802
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181913 (current)	2016-04-06	hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/12.	2241243.cif 2241243.hkl
169836	2015-10-29	cif/ hkl/ Adding structures of 2241243 via cif-deposit CGI script.	2241243.cif 2241243.hkl