Information card for entry 7121710

Structure parameters

• Formula: C39.5 H34.5 B2 F8 N3.5 O Pd3
• Calculated formula: C39 H33 B2 F8 N3 Pd3
• Title of publication: Bimodal coordination of fused arenes to a Pd₃ cluster site.
• Authors of publication: Sugawa, Tsuyoshi; Yamamoto, Koji; Murahashi, Tetsuro
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 46
• Pages of publication: 5875 - 5878
• a: 18.3607 ± 0.0014 Å
• b: 14.2059 ± 0.001 Å
• c: 15.0826 ± 0.0006 Å
• α: 90°
• β: 102.778 ± 0.006°
• γ: 90°
• Cell volume: 3836.6 ± 0.4 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 7
• 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: 0.1461
• Residual factor for significantly intense reflections: 0.0971
• Weighted residual factors for significantly intense reflections: 0.223
• Weighted residual factors for all reflections included in the refinement: 0.2562
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No