Information card for entry 7104825

Structure parameters

• Formula: C38.25 H33 N8 O0.25 Pd2
• Calculated formula: C38.25 H32 N8 O0.25 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: 9.4559 ± 0.0008 Å
• b: 13.2076 ± 0.0011 Å
• c: 14.3084 ± 0.0012 Å
• α: 74.331 ± 0.002°
• β: 86.576 ± 0.002°
• γ: 81.503 ± 0.002°
• Cell volume: 1701.3 ± 0.4 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: 0.067
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0637
• Weighted residual factors for all reflections included in the refinement: 0.0704
• Goodness-of-fit parameter for all reflections included in the refinement: 0.86
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No