Information card for entry 4309789

Structure parameters

• Formula: C18 H32 Br4.5 N4 O2
• Calculated formula: C18 H32 Br4.5 N4 O2
• 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: 20.8971 ± 0.0014 Å
• b: 12.3263 ± 0.0008 Å
• c: 21.86 ± 0.0015 Å
• α: 90°
• β: 105.205 ± 0.001°
• γ: 90°
• Cell volume: 5433.7 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0436
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0767
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No