Information card for entry 1515538

Structure parameters

• Formula: C74 H76 F15 N8 O22 P Pd S3
• Calculated formula: C74 H76 F15 N8 O22 P Pd S3
• 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: 12.518 ± 0.005 Å
• b: 18.378 ± 0.005 Å
• c: 20.119 ± 0.005 Å
• α: 97.003 ± 0.005°
• β: 102.035 ± 0.005°
• γ: 107.893 ± 0.005°
• Cell volume: 4221 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.194
• Residual factor for significantly intense reflections: 0.1162
• Weighted residual factors for significantly intense reflections: 0.3326
• Weighted residual factors for all reflections included in the refinement: 0.3874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.299
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No