Information card for entry 7119537

Structure parameters

• Common name: triple decker porphyrin
• Formula: C273.9 H317.4 Au Cl29.2 Cu2 N24 O63.5 P4 S4
• Calculated formula: C273.9 H309.4 Au Cl29.2 Cu2 N24 O63.5 P4 S4
• Title of publication: Electronic perturbation of supramolecular conjugates of porphyrins and phthalocyanines.
• Authors of publication: Mihara, Nozomi; Yamada, Yasuyuki; Akine, Shigehisa; Sugimoto, Kunihisa; Tanaka, Kentaro
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 14
• Pages of publication: 2230 - 2232
• a: 36.595 ± 0.007 Å
• b: 37.093 ± 0.007 Å
• c: 52.527 ± 0.011 Å
• α: 90 ± 0.03°
• β: 107.21 ± 0.03°
• γ: 90 ± 0.03°
• Cell volume: 68109 ± 3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1493
• Residual factor for significantly intense reflections: 0.1068
• Weighted residual factors for significantly intense reflections: 0.26
• Weighted residual factors for all reflections included in the refinement: 0.278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.834
• Diffraction radiation wavelength: 0.6999 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No