Information card for entry 7201950

Structure parameters

• Formula: C32 H25 N6 O4 S2
• Calculated formula: C32 H25 N6 O4 S2
• Title of publication: Co-crystallisation of 2,2′-dithiodibenzoic acid with the isomeric n-pyridinealdazines, n = 2, 3 and 4: supramolecular polymers and the influence of steric factors upon aggregation patterns
• Authors of publication: Broker, Grant A.; Bettens, Ryan P. A.; Tiekink, Edward R. T.
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 7
• Pages of publication: 879
• a: 7.7631 ± 0.0016 Å
• b: 12.907 ± 0.003 Å
• c: 15.69 ± 0.003 Å
• α: 100.4 ± 0.03°
• β: 103.54 ± 0.03°
• γ: 98.97 ± 0.03°
• Cell volume: 1470.7 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.037
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No