Information card for entry 7034600

Structure parameters

• Chemical name: compound 3
• Formula: C27 H70 Cl6 N14 O8
• Calculated formula: C27 H70 Cl6 N14 O8
• Title of publication: From isolated 1H-pyrazole cryptand anion receptors to hybrid inorganic-organic 1D helical polymeric anion receptors.
• Authors of publication: Pitarch-Jarque, Javier; Belda, Raquel; García-España, Laura; Llinares, José M; Pan, FangFang; Rissanen, Kari; Navarro, Pilar; García-España, Enrique
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 17
• Pages of publication: 7761 - 7764
• a: 14.119 ± 0.0008 Å
• b: 15.151 ± 0.0005 Å
• c: 24.87 ± 0.0011 Å
• α: 90°
• β: 121.047 ± 0.002°
• γ: 90°
• Cell volume: 4558 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1266
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1369
• Weighted residual factors for all reflections included in the refinement: 0.1712
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No