Information card for entry 7208243

Structure parameters

• Formula: C18 H38 Li12 O49 S6
• Calculated formula: C18 H38 Li12 O49 S6
• SMILES: C1(=C(C(C(=C(C1=O)[O-])S(=O)(=O)[O-])=O)[O-])S(=O)(=O)[O-].[Li+].[Li+].[Li+].O.O.O.O.[Li+].O.O.O
• Title of publication: Syntheses, structures and luminescent properties of lithium(i)-sulfonate complexes constructed from ortho-hydroxyl arenedisulfonic acids: structural evolution tuned by the pH, coordination geometry and modes
• Authors of publication: Wan, Wang; Zhu, Zhi-Biao; Huo, Li-Hua; Deng, Zhao-Peng; Zhao, Hui; Gao, Shan
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 16
• Pages of publication: 5274
• a: 36.593 ± 0.007 Å
• b: 12.589 ± 0.003 Å
• c: 10.619 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4891.8 ± 1.8 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1239
• Weighted residual factors for all reflections included in the refinement: 0.129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No