Information card for entry 1502929

Structure parameters

• Formula: C64 H62 N16 O33 Pd2
• Calculated formula: C64 H62 N16 O33 Pd2
• Title of publication: Complexation of pyrene in aqueous solution with a self-assembled palladium metallocycle.
• Authors of publication: Peinador, Carlos; Pía, Elena; Blanco, Víctor; García, Marcos D; Quintela, José M
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 7
• Pages of publication: 1380 - 1383
• a: 14.326 ± 0.005 Å
• b: 17.092 ± 0.005 Å
• c: 17.164 ± 0.005 Å
• α: 89.769 ± 0.005°
• β: 70.447 ± 0.005°
• γ: 84.337 ± 0.005°
• Cell volume: 3939 ± 2 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: 0.0818
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.1678
• Weighted residual factors for all reflections included in the refinement: 0.1807
• Goodness-of-fit parameter for all reflections included in the refinement: 0.916
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No