Information card for entry 2224290

Structure parameters

• Chemical name: 7-Chloro-4-[(<i>E</i>)-(3-chlorobenzylidene)hydrazinyl]-1λ^4^-quinolinium 3-chlorobenzoate
• Formula: C23 H16 Cl3 N3 O2
• Calculated formula: C23 H16 Cl3 N3 O2
• SMILES: Clc1ccc2c(NN=Cc3cc(Cl)ccc3)cc[nH+]c2c1.Clc1cc(C(=O)[O-])ccc1
• Title of publication: 7-Chloro-4-[(<i>E</i>)-(3-chlorobenzylidene)hydrazinyl]-1λ^4^-quinolinium 3-chlorobenzoate
• Authors of publication: de Souza, Marcus V. N.; Howie, R. Alan; Tiekink, Edward R. T.; Wardell, James L.; Wardell, Solange M. S. V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3204 - o3205
• a: 8.8777 ± 0.0002 Å
• b: 10.7064 ± 0.0003 Å
• c: 11.9807 ± 0.0003 Å
• α: 112.532 ± 0.0012°
• β: 91.6382 ± 0.0015°
• γ: 97.4362 ± 0.0015°
• Cell volume: 1039.17 ± 0.05 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes