Information card for entry 1576197

Structure parameters

• Formula: C44 H32 N6 O4 Zn
• Calculated formula: C44 H32 N6 O4 Zn
• Title of publication: Hangman Dipyrrin Complexes
• Authors of publication: Schomberg-Sanchez, Isaac S.; Robinson, William C.; Sanderson, Makayla E.; Mosquera, Martin A.; Lemon, Christopher M.
• Journal of publication: Chemical Science
• Year of publication: 2025
• a: 21.5097 ± 0.0009 Å
• b: 21.5097 ± 0.0009 Å
• c: 15.9157 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7363.7 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0594
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.1166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No