Information card for entry 2218650

Structure parameters

• Common name: Tetrakis(dihydrogen pefloxacinium) di-μ~2~-chlorido-bis[tetrachloridobismuthate(III)] tetrachloride octahydrate
• Chemical name: Tetrakis[4-(3-carboxy-1-ethyl-6-fluoro-4-hydroxonio-1,4-dihydro-7-quinolyl)- 1-methylpiperazin-1-ium] di-μ~2~-chlorido-bis[tetrachloridobismuthate(III)] tetrachloride octahydrate
• Formula: C68 H104 Bi2 Cl14 F4 N12 O20
• Calculated formula: C68 H96 Bi2 Cl14 F4 N12 O20
• Title of publication: Tetrakis(dihydrogen pefloxacinium) di-μ~2~-chlorido-bis[tetrachloridobismuthate(III)] tetrachloride octahydrate
• Authors of publication: Polishchuk, A. V.; Gerasimenko, A. V.; Gayvoronskaya, K. A.; Karaseva, E. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: m931 - m932
• a: 14.4201 ± 0.0014 Å
• b: 25.305 ± 0.003 Å
• c: 12.6359 ± 0.0012 Å
• α: 90°
• β: 99.028 ± 0.002°
• γ: 90°
• Cell volume: 4553.7 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.0766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes