Information card for entry 2220727

Structure parameters

• Chemical name: 2-{1-[2-(Bis{2-[1-(5-chloro-2- hydroxyphenyl)ethylideneamino]ethyl}amino)ethyliminio]ethyl}-4-chlorophenolate toluene hemisolvate
• Formula: C33.5 H37 Cl3 N4 O3
• Calculated formula: C33.5 H37 Cl3 N4 O3
• Title of publication: 2-{1-[2-(Bis{2-[1-(5-chloro-2-hydroxyphenyl)ethylideneamino]ethyl}amino)ethyliminio]ethyl}-4-chlorophenolate toluene hemisolvate
• Authors of publication: Lee, See Mun; Ali, Hapipah Mohd.; Lo, Kong Mun; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: o409
• a: 7.3651 ± 0.0002 Å
• b: 11.1839 ± 0.0002 Å
• c: 20.1594 ± 0.0005 Å
• α: 100.618 ± 0.002°
• β: 97.765 ± 0.002°
• γ: 98.56 ± 0.002°
• Cell volume: 1591.2 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0854
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1267
• Weighted residual factors for all reflections included in the refinement: 0.1501
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes