Information card for entry 7128855

Structure parameters

• Formula: C36 H40 B2 F8 N4 Pd4 Pt2
• Calculated formula: C36 H40 B2 F8 N4 Pd4 Pt2
• SMILES: [Pt]123456([Pt]789%10%11%12[Pd]%13%14%15%16([Pd]%17%187([N]#CC)([cH]7c[cH]9[cH]8[cH]%14[cH]%13[cH]%177)[cH]7[cH]%12[cH]%11[cH]%10[cH]%16[cH]%15[cH]%187)[N]#CC)[Pd]789%10([Pd]%11%12%131([N]#CC)([cH]1[cH]8[cH]7[cH]4[cH]3[cH]2[cH]%111)[cH]1[cH]%10[cH]9[cH]6[cH]5[cH]%13[cH]%121)[N]#CC.[B](F)(F)(F)[F-].[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: 11.4221 ± 0.0004 Å
• b: 13.8137 ± 0.0004 Å
• c: 14.3901 ± 0.0004 Å
• α: 83.8592 ± 0.0008°
• β: 76.9542 ± 0.0009°
• γ: 71.2097 ± 0.0009°
• Cell volume: 2092.56 ± 0.11 ų
• Cell temperature: 143.15 K
• Ambient diffraction temperature: 143.15 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0411
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.0961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No