Information card for entry 7113826

Structure parameters

• Formula: C60 H45 N8 O0.5 Pd2
• Calculated formula: C60 H45 N8 O0.5 Pd2
• Title of publication: Macrocyclic diiminodipyrromethane complexes: structural analogues of Pac-Man porphyrins
• Authors of publication: Givaja, Gonzalo; Blake, Alexander J.; Wilson, Claire; Schröder, Martin; Love, Jason B.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 19
• Pages of publication: 2508 - 2509
• a: 10.3192 ± 0.0014 Å
• b: 13.238 ± 0.002 Å
• c: 18.403 ± 0.002 Å
• α: 84.446 ± 0.002°
• β: 77.151 ± 0.002°
• γ: 75.866 ± 0.002°
• Cell volume: 2374.4 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0498
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7104824
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No