Crystallography Open Database

Information card for entry 2206719

2206718 << 2206719 >> 2206720

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Structure parameters

Chemical name	Bis[N-methylpiperidinium(2+)] di-μ-chloro-bis[tetrachlorobismuthate(III)] dihydrate
Formula	C10 H32 Bi2 Cl10 N4 O2
Calculated formula	C10 H32 Bi2 Cl10 N4 O2
SMILES	C1[NH2+]CC[NH+](C1)C.C1[NH2+]CC[NH+](C1)C.[Bi]1([Cl][Bi]([Cl]1)(Cl)(Cl)(Cl)Cl)(Cl)(Cl)(Cl)Cl.O.O
Title of publication	Bis[<i>N</i>-methylpiperidinium(2+)] di-μ-chloro-bis[tetrachlorobismuthate(III)] dihydrate
Authors of publication	Fu, Yun-Long; Xu, Zhi-Wei; Ren, Jia-Lin; Ng, Seik Weng
Journal of publication	Acta Crystallographica Section E
Year of publication	2005
Journal volume	61
Journal issue	9
Pages of publication	m1719 - m1720
a	7.7443 ± 0.0006 Å
b	18.55 ± 0.002 Å
c	9.9726 ± 0.0008 Å
α	90°
β	92.925 ± 0.001°
γ	90°
Cell volume	1430.8 ± 0.2 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 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	0.034
Residual factor for significantly intense reflections	0.027
Weighted residual factors for significantly intense reflections	0.061
Weighted residual factors for all reflections included in the refinement	0.064
Goodness-of-fit parameter for all reflections included in the refinement	1.01
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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