Information card for entry 2212945

Structure parameters

• Chemical name: Bis(norfloxacin) tetrachloridopalladium dihydrate
• Formula: C32 H42 Cl4 F2 N6 O8 Pd
• Calculated formula: C32 H42 Cl4 F2 N6 O8 Pd
• SMILES: c1(c(=O)c2cc(F)c(cc2n(c1)CC)N1CC[NH2+]CC1)C(=O)O.Cl[Pd](Cl)([Cl-])[Cl-].O.c1(cn(c2c(c1=O)cc(F)c(c2)N1CC[NH2+]CC1)CC)C(=O)O.O
• Title of publication: Bis(norfloxacinium) tetrachloridopalladate(II) dihydrate
• Authors of publication: Rui-Ding Hu; Qing-Sen Yu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: m1070 - m1072
• a: 8.4561 ± 0.0017 Å
• b: 9.4191 ± 0.0019 Å
• c: 12.832 ± 0.003 Å
• α: 111.26 ± 0.03°
• β: 97.23 ± 0.03°
• γ: 96.38 ± 0.03°
• Cell volume: 931.2 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes