Information card for entry 4348629

Structure parameters

• Formula: C92 H61 Cl12 N8 Nd
• Calculated formula: C92 H61 Cl12 N8 Nd
• 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: 16.035 ± 0.003 Å
• b: 17.217 ± 0.003 Å
• c: 30.201 ± 0.006 Å
• α: 90°
• β: 91.44 ± 0.03°
• γ: 90°
• Cell volume: 8335 ± 3 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1144
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1302
• Weighted residual factors for all reflections included in the refinement: 0.1493
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No