Information card for entry 7102176

Structure parameters

• Formula: C84 H162.5 N12 O51.25 Ru6
• Calculated formula: C84 H84 N12 O51.25 Ru6
• Title of publication: A self-assembled receptor for the recognition of phosphate and acetate anions in neutral aqueous solution.
• Authors of publication: Olivier, Céline; Grote, Zacharias; Solari, Euro; Scopelliti, Rosario; Severin, Kay
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 39
• Pages of publication: 4000 - 4002
• a: 16.2163 ± 0.0017 Å
• b: 18.3321 ± 0.0019 Å
• c: 22.563 ± 0.005 Å
• α: 101.528 ± 0.011°
• β: 93.817 ± 0.011°
• γ: 115.455 ± 0.01°
• Cell volume: 5845.3 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.089
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1358
• Weighted residual factors for all reflections included in the refinement: 0.158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No