Information card for entry 2003240

Structure parameters

• Formula: C71 H84 Cl2 N4 O10
• Calculated formula: C71 H84 Cl2 N4 O10
• Title of publication: A Solvate of the Diacetate Salt of the Octaethyltetraphenylporphyrin Dication, H~4~OETPP^2+^.2CH~3~COO^{-^}.3CH~3~COOH.CH~2~Cl~2~
• Authors of publication: Barkigia, K. M.; Fajer, J.; Berber, M. D.; Smith, K. M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 3
• Pages of publication: 511 - 515
• a: 13.684 ± 0.005 Å
• b: 20.294 ± 0.005 Å
• c: 13.09 ± 0.004 Å
• α: 98.64 ± 0.02°
• β: 107.98 ± 0.03°
• γ: 91.06 ± 0.02°
• Cell volume: 3410.2 ± 1.9 ų
• Cell temperature: 200 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 significantly intense reflections: 0.095
• Weighted residual factors for significantly intense reflections: 0.119
• Goodness-of-fit parameter for significantly intense reflections: 3.17
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No