Information card for entry 7038002

Structure parameters

• Formula: C96 H23 F20 N6 O17.5 Pd2
• Calculated formula: C96 H23 F20 N6 O17.5 Pd2
• Title of publication: Synthesis and spectroscopic behaviour of metal complexes of meso-alkylidenyl carbaporphyrinoids and their expanded analogues.
• Authors of publication: Abebayehu, Abeje; Park, Dowoo; Hwang, Seonah; Dutta, Ranjan; Lee, Chang-Hee
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 7
• Pages of publication: 3093 - 3101
• a: 17.137 ± 0.003 Å
• b: 24.199 ± 0.005 Å
• c: 23.303 ± 0.005 Å
• α: 90°
• β: 94.81 ± 0.03°
• γ: 90°
• Cell volume: 9630 ± 3 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.121
• Residual factor for significantly intense reflections: 0.0712
• Weighted residual factors for significantly intense reflections: 0.1728
• Weighted residual factors for all reflections included in the refinement: 0.2045
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No