Information card for entry 4347450

Structure parameters

• Formula: C42 H66 Co2 N10 O18 S4
• Calculated formula: C42 H66 Co2 N10 O18 S4
• SMILES: c12cccc[n]2[Co]23([N](C1)(Cc1cccc[n]21)CCNC(=O)NC(C)(C)C)(OS(=O)(=O)O[Co]12([n]4c(cccc4)C[N]1(Cc1cccc[n]21)CCNC(=O)NC(C)(C)C)(OS(=O)(=O)O3)[OH2])[OH2].O=S(C)C.O.O.O=S(C)C.O.O
• 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: 16.0294 ± 0.0011 Å
• b: 10.8894 ± 0.0008 Å
• c: 16.4207 ± 0.0012 Å
• α: 90°
• β: 104.53 ± 0.0016°
• γ: 90°
• Cell volume: 2774.6 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0438
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.1243
• Weighted residual factors for all reflections included in the refinement: 0.1363
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No