Information card for entry 4309788

Structure parameters

• Formula: C36 H62 I4 N8 O6.57
• Calculated formula: C36 H62 I4 N8 O6.57
• Title of publication: Counteranion-Controlled Water Cluster Recognition in a Protonated Octaamino Cryptand
• Authors of publication: P. S. Lakshminarayanan; D. Krishna Kumar; Pradyut Ghosh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 7540 - 7546
• a: 14.002 ± 0.003 Å
• b: 20.058 ± 0.004 Å
• c: 17.647 ± 0.004 Å
• α: 90°
• β: 104.511 ± 0.004°
• γ: 90°
• Cell volume: 4798.1 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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 all reflections: 0.0601
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1234
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No