Information card for entry 7107894

Structure parameters

• Formula: C54 H13 Cl2 F20 N5 O4 Rh2
• Calculated formula: C54 H13 Cl2 F20 N5 O4 Rh2
• SMILES: c12ccc3C(=c4ccc(C(=c5ccc(C(=c6ccc7=C(c8ccc(=C1)[n]8[Rh](C#[O])(C#[O])n67)c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F)n5)c1c(c(c(c(c1F)F)F)F)F)[n]4[Rh](C#[O])(C#[O])n23)c1c(c(c(c(c1F)F)F)F)F.C(Cl)Cl
• Title of publication: A non-fused mono-meso-free pentaphyrin and its rhodium(I) complex
• Authors of publication: Tomoki Yoneda; Hirotaka Mori; Dongho Kim; Byung Lee; Min-Chul Yoon; Atsuhiro Osuka
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 6785
• a: 26.9166 ± 0.0005 Å
• b: 14.9711 ± 0.0003 Å
• c: 24.9775 ± 0.0004 Å
• α: 90°
• β: 90.1129 ± 0.0008°
• γ: 90°
• Cell volume: 10065.2 ± 0.3 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0937
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.1502
• Weighted residual factors for all reflections included in the refinement: 0.1754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No