Information card for entry 2206568

Structure parameters

• Common name: tetrapiperazium decachlorodibismuthate
• Chemical name: Bis(piperazinium) di-μ-chloro-bis[tetraochlorobismuthate(III)] trihydrate
• Formula: C8 H30 Bi2 Cl10 N4 O3
• Calculated formula: C8 H30 Bi2 Cl10 N4 O3
• SMILES: [Bi]1([Cl][Bi]([Cl]1)(Cl)(Cl)(Cl)Cl)(Cl)(Cl)(Cl)Cl.[NH2+]1CC[NH2+]CC1.O.O.C1C[NH2+]CC[NH2+]1.O
• Title of publication: Bis(piperazinium) di-μ-chloro-bis[tetrachlorobismuthate(III)] trihydrate
• Authors of publication: Ping-Fan Wu; Xiao-Feng Tan; Xiang-Gao Meng; Dong-Sheng Li; Yu-Lin Zhu; Yong-Ge Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: m1506 - m1508
• a: 14.3223 ± 0.0014 Å
• b: 15.7868 ± 0.0014 Å
• c: 13.5226 ± 0.0013 Å
• α: 90°
• β: 115.067 ± 0.002°
• γ: 90°
• Cell volume: 2769.5 ± 0.5 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0435
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.0998
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes