Information card for entry 7122780

Structure parameters

• Formula: C22 H20 N2 O7
• Calculated formula: C22 H20 N2 O7
• Title of publication: A Twisted Macrocyclic Hexanuclear Palladium Complex with Internal Bulky Coordinating Ligands
• Authors of publication: Nagai, Akira; Nakamura, Takashi; Nabeshima, Tatsuya
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 18.621 ± 0.003 Å
• b: 13.302 ± 0.002 Å
• c: 8.051 ± 0.0014 Å
• α: 90°
• β: 91.291 ± 0.008°
• γ: 90°
• Cell volume: 1993.7 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• 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: 0.1264
• Residual factor for significantly intense reflections: 0.0836
• Weighted residual factors for significantly intense reflections: 0.209
• Weighted residual factors for all reflections included in the refinement: 0.2333
• Goodness-of-fit parameter for all reflections included in the refinement: 1.273
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No