Information card for entry 4347446

Structure parameters

• Formula: C19 H29 N5 O
• Calculated formula: C19 H27 N5 O
• SMILES: C(=O)(NCCN(Cc1ccccn1)Cc1ncccc1)NC(C)(C)C
• 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: 9.3538 ± 0.0015 Å
• b: 23.463 ± 0.004 Å
• c: 8.9193 ± 0.0015 Å
• α: 90°
• β: 98.061 ± 0.004°
• γ: 90°
• Cell volume: 1938.2 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0509
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No