Information card for entry 2227600

Structure parameters

• Chemical name: 2,2'-(disulfanediyl)dibenzoic acid–<i>N</i>,<i>N</i>'-bis(3-pyridylmethyl)ethanediamide (1/1)
• Formula: C28 H24 N4 O6 S2
• Calculated formula: C28 H24 N4 O6 S2
• SMILES: S(Sc1c(cccc1)C(=O)O)c1c(cccc1)C(=O)O.O=C(NCc1cnccc1)C(=O)NCc1cnccc1
• Title of publication: 2,2'-(Disulfanediyl)dibenzoic acid–<i>N</i>,<i>N</i>'-bis(3-pyridylmethyl)ethanediamide (1/1)
• Authors of publication: Arman, Hadi D.; Miller, Tyler; Poplaukhin, Pavel; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: o2590 - o2591
• a: 10.015 ± 0.003 Å
• b: 10.31 ± 0.003 Å
• c: 14.795 ± 0.004 Å
• α: 86.91 ± 0.016°
• β: 78.052 ± 0.015°
• γ: 69.554 ± 0.01°
• Cell volume: 1400.1 ± 0.7 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 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: 0.059
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes