Information card for entry 4506365

Structure parameters

• Formula: C14 H20 N2 O6 S2
• Calculated formula: C14 H20 N2 O6 S2
• SMILES: c1c2c(cccc2c(cc1)S(=O)(=O)[O-])S(=O)(=O)[O-].C(C[NH3+])CC[NH3+]
• Title of publication: A Co-Crystal Strategy to Tune the Supramolecular Patterns and Luminescent Properties: Ten Well-Designed Salts Assembled by Arenedisulfonic Acid with Diverse Diamines
• Authors of publication: Deng, Zhao-Peng; Huo, Li-Hua; Zhao, Hui; Gao, Shan
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 6
• Pages of publication: 3342
• a: 17.786 ± 0.004 Å
• b: 10.674 ± 0.002 Å
• c: 9.3039 ± 0.0019 Å
• α: 90°
• β: 116.72 ± 0.03°
• γ: 90°
• Cell volume: 1577.7 ± 0.7 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0479
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No