Information card for entry 7034599

Structure parameters

• Formula: C216 H484 Cl72 Cu12 N112 O77
• Calculated formula: C216 H484 Cl71.9996 Cu12 N112 O77
• 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: 20.6746 ± 0.0007 Å
• b: 18.677 ± 0.0003 Å
• c: 40.0092 ± 0.0014 Å
• α: 90°
• β: 132.674 ± 0.006°
• γ: 90°
• Cell volume: 11358.5 ± 1.2 ų
• Cell temperature: 123 ± 0.1 K
• Ambient diffraction temperature: 123 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.1049
• Residual factor for significantly intense reflections: 0.0975
• Weighted residual factors for significantly intense reflections: 0.3214
• Weighted residual factors for all reflections included in the refinement: 0.3382
• Goodness-of-fit parameter for all reflections included in the refinement: 1.542
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No