Information card for entry 7009119

Structure parameters

• Formula: C55 H58 Cd Cl3 F6 N4 P
• Calculated formula: C55 H58 Cd Cl3 F6 N4 P
• Title of publication: Polyaza and azaoxa macrocyclic receptors functionalised with fluorescent subunits; Hg2+ selective signalling
• Authors of publication: Al Shihadeh, Youseff; Benito, Angel; Lloris, José Manuel; Martínez-Máñez, Ramón; Pardo, Teresa; Soto, Juan; Marcos, M. Dolores
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 7
• Pages of publication: 1199
• a: 10.1175 ± 0.0011 Å
• b: 12.9778 ± 0.0014 Å
• c: 20.112 ± 0.002 Å
• α: 99.688 ± 0.008°
• β: 90.217 ± 0.008°
• γ: 91.558 ± 0.009°
• Cell volume: 2602 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0736
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for all reflections: 0.1734
• Weighted residual factors for significantly intense reflections: 0.154
• Goodness-of-fit parameter for all reflections: 1.225
• Goodness-of-fit parameter for significantly intense reflections: 1.25
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No