Information card for entry 4038273

Structure parameters

• Chemical name: 9-((10,20-dihexyl-15-phenylporphyrinato-5-yl)ethynyl)zinc(II)-10-((10,20-dihexyl-15-phenylporphyrinato-5-yl)ethynyl) nickel(II) triptycene
• Formula: C100 H90 N8 Ni Zn
• Calculated formula: C100 H90 N8 Ni Zn
• Title of publication: Towards triptycene functionalization and triptycene-linked porphyrin arrays.
• Authors of publication: Locke, Gemma M.; Flanagan, Keith J.; Senge, Mathias O.
• Journal of publication: Beilstein journal of organic chemistry
• Year of publication: 2020
• Journal volume: 16
• Pages of publication: 763 - 777
• a: 10.5794 ± 0.0009 Å
• b: 12.0811 ± 0.001 Å
• c: 31.213 ± 0.003 Å
• α: 90.007 ± 0.002°
• β: 94.017 ± 0.002°
• γ: 90.367 ± 0.002°
• Cell volume: 3979.5 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.092
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.1631
• Weighted residual factors for all reflections included in the refinement: 0.1797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No