Information card for entry 7025250

Structure parameters

• Formula: C64 H32 N16 Y
• Calculated formula: C64 H32 N16 Y
• SMILES: [Y]123456(n7c8=Nc9[n]3c(=Nc3n2c(N=c2[n]1c(N=c7c1c8cccc1)c1ccccc21)c1ccccc31)c1ccccc91)n1c2=Nc3[n]6c(=Nc6n5c(N=c5[n]4c(N=c1c1c2cccc1)c1ccccc51)c1ccccc61)c1ccccc31
• Title of publication: Surface morphologies, electronic structures, and Kondo effect of lanthanide(III)-phthalocyanine molecules on Au(111) by using STM, STS and FET properties for next generation devices.
• Authors of publication: Katoh, Keiichi; Komeda, Tadahiro; Yamashita, Masahiro
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 20
• Pages of publication: 4708 - 4723
• a: 8.835 ± 0.003 Å
• b: 10.616 ± 0.004 Å
• c: 50.789 ± 0.017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4764 ± 3 ų
• Cell temperature: 93.1 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.1576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No