Information card for entry 7202974

Structure parameters

• Formula: C19 H16 N O5 S2
• Calculated formula: C19 H16 N O5 S2
• Title of publication: Co-crystal formation between 2,2′-dithiodibenzoic acid and each of 4,4′-bipyridine, trans-1,2-bis(4-pyridyl)ethene and 1,2-bis(4-pyridyl)ethane
• Authors of publication: Broker, Grant A.; Tiekink, Edward R. T.
• Journal of publication: CrystEngComm
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 11
• Pages of publication: 1096
• a: 7.8072 ± 0.0016 Å
• b: 11.128 ± 0.002 Å
• c: 11.413 ± 0.002 Å
• α: 64.69 ± 0.03°
• β: 82.89 ± 0.03°
• γ: 77.7 ± 0.03°
• Cell volume: 875.2 ± 0.4 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: 0.069
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No