Information card for entry 2223012

Structure parameters

• Chemical name: (<i>E</i>)-2,4-Dihydroxybenzaldehyde 4-ethylthiosemicarbazone‒ 4,4'-bipyridine‒water (4/7/2)
• Formula: C110 H112 N26 O10 S4
• Calculated formula: C110 H112 N26 O10 S4
• Title of publication: (<i>E</i>)-2,4-Dihydroxybenzaldehyde 4-ethylthiosemicarbazone‒4,4'-bipyridine‒water (4/7/2)
• Authors of publication: Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o2129
• a: 11.7683 ± 0.0003 Å
• b: 15.2531 ± 0.0004 Å
• c: 16.0612 ± 0.0004 Å
• α: 74.639 ± 0.002°
• β: 86.561 ± 0.002°
• γ: 70.252 ± 0.001°
• Cell volume: 2615.16 ± 0.12 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.1026
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1531
• Weighted residual factors for all reflections included in the refinement: 0.1792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes