Information card for entry 7202973

Structure parameters

• Formula: C26 H26 N2 O6 S2
• Calculated formula: C26 H26 N2 O6 S2
• SMILES: S(Sc1c(cccc1)C(=O)[O-])c1c(C(=O)O)cccc1.O.O.n1ccc(cc1)CCc1cc[nH+]cc1
• 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: 7.5501 ± 0.0015 Å
• b: 9.0077 ± 0.0018 Å
• c: 18.787 ± 0.004 Å
• α: 88.56 ± 0.03°
• β: 81.33 ± 0.03°
• γ: 74.86 ± 0.03°
• Cell volume: 1219.1 ± 0.5 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: 0.036
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No