Information card for entry 7114929

Structure parameters

• Formula: C90 H114 F9 N9 O6 Pd3
• Calculated formula: C90 H114 F9 N9 O6 Pd3
• Title of publication: Tripyrrin—the missing link in the series of oligopyrrolic ligands
• Authors of publication: Bröring, Martin; D. Brandt, Carsten
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 5
• Pages of publication: 499
• a: 13.168 ± 0.003 Å
• b: 17.773 ± 0.004 Å
• c: 20.929 ± 0.004 Å
• α: 73.83 ± 0.03°
• β: 75.37 ± 0.03°
• γ: 75.49 ± 0.03°
• Cell volume: 4465.4 ± 1.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0614
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 0.899
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No