Information card for entry 7209929

Structure parameters

• Formula: C36 H78 O56 S12 Tm2
• Calculated formula: C36 H78 O56 S12 Tm2
• Title of publication: Supramolecular assemblies with water-soluble p-sulfonatothiacalix[6]arene lanthanide complexes: one-dimensional ‘ladder-type’ coordination polymers and one-dimensional hydrogen-bonded polymers
• Authors of publication: Yamada, Manabu; Hamada, Fumio
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 28
• Pages of publication: 5703
• a: 15.4846 ± 0.0007 Å
• b: 12.3023 ± 0.0005 Å
• c: 20.5851 ± 0.0008 Å
• α: 90°
• β: 110.451 ± 0.0012°
• γ: 90°
• Cell volume: 3674.2 ± 0.3 ų
• Cell temperature: 100.1 K
• Ambient diffraction temperature: 100.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for all reflections included in the refinement: 0.0619
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No