Information card for entry 7713723

Structure parameters

• Formula: C186 H154 Ce Cl6 N8 O8
• Calculated formula: C186 H154 Ce Cl6 N8 O8
• Title of publication: Multiply Engaged Molecular Gear composed of Cerium (IV) Double-Decker of a triptycene-functionalized Porphyrin
• Authors of publication: Nishino, Toshio; Fukumura, Masafumi; Katao, Shohei; Yasuhara, Kazuma; Rapenne, Gwenael
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 41.9814 ± 0.0005 Å
• b: 41.9814 ± 0.0008 Å
• c: 53.6321 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120 ± 0.0013°
• Cell volume: 81860 ± 3 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103.15 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1018
• Residual factor for significantly intense reflections: 0.086
• Weighted residual factors for significantly intense reflections: 0.2678
• Weighted residual factors for all reflections included in the refinement: 0.2866
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No