Information card for entry 7026020

Structure parameters

• Common name: (Yb.TPP.(Methylphen).acetate).2MeOH
• Formula: C53.14 H35.14 N5.14 O4.29 Yb0.86
• Calculated formula: C52.2857 H40.2857 N5.14286 O4 Yb0.857143
• Title of publication: Hybridization of near-infrared emitting erbium(III) and ytterbium(III) monoporphyrinate complexes with silica xerogel: synthesis, structure and photophysics.
• Authors of publication: He, Hongshan; Dubey, Mukul; Sykes, Andrew G.; May, P. Stanley
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 28
• Pages of publication: 6466 - 6474
• a: 45.5728 ± 0.0014 Å
• b: 45.5728 ± 0.0014 Å
• c: 13.5061 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 24292.5 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0756
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1443
• Weighted residual factors for all reflections included in the refinement: 0.1596
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No