Information card for entry 4104714

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: Direct Observation of Lanthanide(III)-Phthalocyanine Molecules on Au(111) by Using Scanning Tunneling Microscopy and Scanning Tunneling Spectroscopy and Thin-Film Field-Effect Transistor Properties of Tb(III)- and Dy(III)-Phthalocyanine Molecules
• Authors of publication: Keiichi Katoh; Yusuke Yoshida; Masahiro Yamashita; Hitoshi Miyasaka; Brian K. Breedlove; Takashi Kajiwara; Shinya Takaishi; Naoto Ishikawa; Hironari Isshiki; Yan Feng Zhang; Tadahiro Komeda; Masakazu Yamagishi; Jun Takeya
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 9967 - 9976
• 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