Information card for entry 4347449

Structure parameters

• Formula: C21 H27 F6 N5 O8 S2 Zn
• Calculated formula: C21 H27 F6 N5 O8 S2 Zn
• SMILES: [Zn]123([N](Cc4[n]1cccc4)(Cc1[n]2cccc1)CCNC(NC(C)(C)C)=[O]3)[OH2].S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Unusual Recognition and Separation of Hydrated Metal Sulfates [M2(μ-SO4)2(H2O)n, M = Zn(II), Cd(II), Co(II), Mn(II)] by a Ditopic Receptor.
• Authors of publication: Ghosh, Tamal Kanti; Dutta, Ranjan; Ghosh, Pradyut
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 7
• Pages of publication: 3640 - 3652
• a: 10.272 ± 0.002 Å
• b: 12.289 ± 0.002 Å
• c: 14.188 ± 0.003 Å
• α: 65.551 ± 0.004°
• β: 71.476 ± 0.004°
• γ: 68.979 ± 0.004°
• Cell volume: 1491.4 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.0898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No