Information card for entry 7104577

Structure parameters

• Formula: C193.44 H103.19 F60 N12 O8 Rh4
• Calculated formula: C193.436 H102.188 F60 N12 O8 Rh4
• Title of publication: Bis-rhodium hexaphyrins: metalation of [28]hexaphyrin and a smooth Hückel aromatic-antiaromatic interconversion.
• Authors of publication: Rath, Harapriya; Aratani, Naoki; Lim, Jong Min; Lee, Jae Seok; Kim, Dongho; Shinokubo, Hiroshi; Osuka, Atsuhiro
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 25
• Pages of publication: 3762 - 3764
• a: 15.218 ± 0.005 Å
• b: 17.094 ± 0.006 Å
• c: 18.776 ± 0.006 Å
• α: 80.895 ± 0.012°
• β: 67.008 ± 0.011°
• γ: 72.583 ± 0.012°
• Cell volume: 4285 ± 2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0884
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1495
• Weighted residual factors for all reflections included in the refinement: 0.1691
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No