Information card for entry 7128853

Structure parameters

• Formula: C30 H27 B2 F8 N Pd2 Pt
• Calculated formula: C30 H27 B2 F8 N Pd2 Pt
• SMILES: [Pt]123456([Pd]789%10%11([Pd]%12%13%141([F]B(F)(F)F)([cH]1[cH]8[cH]7[cH]3[cH]2[cH]%13[cH]%121)[cH]1[cH]%11[cH]%10[cH]9[cH]5[cH]4[cH]%141)[N]#CC)[C](#[C]6c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-]
• Title of publication: Selective dimerization of a trinuclear mixed-metal sandwich complex: construction of an axially chiral metal skeleton.
• Authors of publication: Yamaura, Hiroshige; Yamamoto, Koji; Murahashi, Tetsuro
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 72
• Pages of publication: 9120 - 9123
• a: 9 ± 0.0017 Å
• b: 11.736 ± 0.002 Å
• c: 14.406 ± 0.003 Å
• α: 90°
• β: 90.775 ± 0.004°
• γ: 90°
• Cell volume: 1521.5 ± 0.5 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1063
• Residual factor for significantly intense reflections: 0.0879
• Weighted residual factors for significantly intense reflections: 0.2167
• Weighted residual factors for all reflections included in the refinement: 0.2451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No