Information card for entry 7038563

Structure parameters

• Formula: C30 H36 N6 O12 S
• Calculated formula: C30 H36 N6 O12 S
• Title of publication: Ion pair complexes and anion binding in the solution of a ditopic receptor.
• Authors of publication: Mäkelä, T; Rissanen, K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 15
• Pages of publication: 6481 - 6490
• a: 8.8481 ± 0.0003 Å
• b: 10.1334 ± 0.0004 Å
• c: 18.5466 ± 0.0006 Å
• α: 86.562 ± 0.003°
• β: 89.252 ± 0.003°
• γ: 80.827 ± 0.003°
• Cell volume: 1638.68 ± 0.1 ų
• Cell temperature: 134.41 ± 0.1 K
• Ambient diffraction temperature: 134.41 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.065
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.159
• Weighted residual factors for all reflections included in the refinement: 0.1657
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No