Information card for entry 4309790

Structure parameters

• Formula: C6 H10 Cl1.17 N1.33 O1.81
• Calculated formula: C6 H10 Cl1.16667 N1.33333 O1.81333
• 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: 12.548 ± 0.002 Å
• b: 12.548 ± 0.002 Å
• c: 20.391 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2780.5 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.106
• Residual factor for significantly intense reflections: 0.0826
• Weighted residual factors for significantly intense reflections: 0.1792
• Weighted residual factors for all reflections included in the refinement: 0.1969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.226
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No