Information card for entry 2217442

Structure parameters

• Common name: Bis(dihydrogen norfloxacinium) tri-μ~2~-chlorido-bis[trichloridobismuthate(III)] chloride dihydrate
• Chemical name: (3-carboxy-1-ethyl-6-fluoro-7-piperazin-4-ium-1-yl-1H-quinolin-4- ylidene)oxonium tri-μ~2~-chlorido-bis[trichloridobismuthate(III)] chloride dihydrate]
• Formula: C32 H44 Bi2 Cl10 F2 N6 O8
• Calculated formula: C32 H44 Bi2 Cl10 F2 N6 O8
• SMILES: c12cc(c(cc1[n+](cc(c2O)C(=O)O)CC)N1CC[NH2+]CC1)F.O.[Bi]([Cl][Bi](Cl)(Cl)Cl)(Cl)(Cl)Cl.[Cl-].[Cl-].c1c(c(c2cc(c(cc2[n+]1CC)N1CC[NH2+]CC1)F)O)C(=O)O.O.[Cl-]
• Title of publication: Bis(dihydrogen norfloxacinium) tri-μ~2~-chlorido-bis[trichloridobismuthate(III)] chloride dihydrate
• Authors of publication: Gerasimenko, A. V.; Karaseva, E. T.; Polishchuk, A. V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: m378 - m378
• a: 13.9109 ± 0.0012 Å
• b: 22.7104 ± 0.0019 Å
• c: 14.5964 ± 0.0012 Å
• α: 90°
• β: 92.798 ± 0.002°
• γ: 90°
• Cell volume: 4605.8 ± 0.7 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 7
• 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: 0.0309
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0586
• Weighted residual factors for all reflections included in the refinement: 0.0609
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes