Information card for entry 7209925

Structure parameters

• Formula: C36 H18 Ce2 O47 S12
• Calculated formula: C36 H18 Ce2 O47 S12
• 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: 13.916 ± 0.0008 Å
• b: 26.5308 ± 0.0013 Å
• c: 19.3049 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7127.4 ± 0.7 ų
• Cell temperature: 110.1 K
• Ambient diffraction temperature: 110.1 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for significantly intense reflections: 0.0722
• Weighted residual factors for all reflections included in the refinement: 0.2427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No