Information card for entry 7053746

Structure parameters

• Formula: C12 H31.5 O13 P0.5 Rb S0.5
• Calculated formula: C12 H24 O13 P0.5 Rb S0.5
• Title of publication: Crystal forms of highly “dynamic” 18-crown[6] complexes with M[HSO4] and M[H2PO4] (M+ = NH4+, Rb+, Cs+): thermal behaviour and solid-state preparation
• Authors of publication: Braga, Dario; Modena, Enrico; Polito, Marco; Rubini, Katia; Grepioni, Fabrizia
• Journal of publication: New Journal of Chemistry
• Year of publication: 2008
• Journal volume: 32
• Journal issue: 10
• Pages of publication: 1718
• a: 19.802 ± 0.004 Å
• b: 8.447 ± 0.004 Å
• c: 25.777 ± 0.007 Å
• α: 90°
• β: 101 ± 0.02°
• γ: 90°
• Cell volume: 4232 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0744
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No