Information card for entry 4348634

Structure parameters

• Formula: C90 H61 Cl2 N8 Tb
• Calculated formula: C90 H60 Cl2 N8 Tb
• Title of publication: Systematic Structural Elucidation for the Protonated Form of Rare Earth Bis(porphyrinato) Double-Decker Complexes: Direct Structural Evidence of the Location of the Attached Proton.
• Authors of publication: Yamashita, Ken-Ichi; Sakata, Naoya; Ogawa, Takuji
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 17
• Pages of publication: 8935 - 8942
• a: 21.495 ± 0.004 Å
• b: 21.68 ± 0.004 Å
• c: 31.325 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14598 ± 5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.0819
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.1694
• Weighted residual factors for all reflections included in the refinement: 0.1758
• Goodness-of-fit parameter for all reflections included in the refinement: 1.205
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No