Information card for entry 7115019

Structure parameters

• Formula: C91 H62 Cu2 N8
• Calculated formula: C91 H62 Cu2 N8
• Title of publication: Directly linked dehydropurpurin‒porphyrin dyads from Ag(i)-promoted oxidation of meso-phenylethynyl substituted zinc(ii) porphyrins
• Authors of publication: Nakano, Aiko; Aratani, Naoki; Furuta, Hiroyuki; Osuka, Atsuhiro
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 19
• Pages of publication: 1920
• a: 13.204 ± 0.001 Å
• b: 24.665 ± 0.001 Å
• c: 11.0879 ± 0.0009 Å
• α: 99.737 ± 0.002°
• β: 106.21 ± 0.003°
• γ: 83.472 ± 0.005°
• Cell volume: 3409.1 ± 0.4 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0596
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for all reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.066
• Goodness-of-fit parameter for all reflections: 0.488
• Goodness-of-fit parameter for all reflections included in the refinement: 0.49
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No