Information card for entry 7240410

Structure parameters

• Formula: C46 H30 O4 Pd
• Calculated formula: C46 H30 O4 Pd
• Title of publication: Supramolecular association of M2+⋯π induced by different electrostatic properties using naphthyl substituted β-diketonate complexes (metal = Cu, Pd, Pt)
• Authors of publication: Kusakawa, Takumi; Goto, Takayuki; Hori, Akiko
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 35.924 ± 0.006 Å
• b: 6.0389 ± 0.0011 Å
• c: 16.287 ± 0.003 Å
• α: 90°
• β: 109.919 ± 0.005°
• γ: 90°
• Cell volume: 3321.9 ± 1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0816
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No