Information card for entry 1515539

Structure parameters

• Formula: C122 H144 F18 N14 O46 Pd2 S6
• Calculated formula: C122 H144 F18 N14 O46 Pd2 S6
• Title of publication: Self-assembly of new fluorescent Pd(ii) and Pt(ii) 2,7-diazapyrenium-based metallocycles and study of their inclusion complexes and [3]catenanes
• Authors of publication: Blanco, Victor; García, Marcos D.; Peinador, Carlos; Quintela, José M.
• Journal of publication: Chemical Science
• Year of publication: 2011
• Journal volume: 2
• Journal issue: 12
• Pages of publication: 2407
• a: 12.0255 ± 0.0005 Å
• b: 20.4941 ± 0.0008 Å
• c: 28.0429 ± 0.0012 Å
• α: 90°
• β: 93.676 ± 0.002°
• γ: 90°
• Cell volume: 6897 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.127
• Residual factor for significantly intense reflections: 0.1062
• Weighted residual factors for significantly intense reflections: 0.2562
• Weighted residual factors for all reflections included in the refinement: 0.2712
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No