Information card for entry 7209928

Structure parameters

• Formula: C36 H78 O56 S12 Tb2
• Calculated formula: C36 H78 O56 S12 Tb2
• 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: 15.5538 ± 0.0004 Å
• b: 12.2885 ± 0.0004 Å
• c: 20.6249 ± 0.0006 Å
• α: 90°
• β: 110.567 ± 0.0009°
• γ: 90°
• Cell volume: 3690.84 ± 0.19 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: 0.0207
• Weighted residual factors for all reflections included in the refinement: 0.0543
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No