Information card for entry 7128854

Structure parameters

• Formula: C42 H36 B2 F8 O Pd Pt2
• Calculated formula: C42 H36 B2 F8 O Pd Pt2
• SMILES: [Pt]1234567([Pt]89%10%11%12([Pd]%13%14%151([OH2])([cH]1[cH]9[cH]8[cH]3[cH]2[cH]%14[cH]%131)[cH]1[cH]%11[cH]%10[cH]5[cH]4[cH]6[cH]%151)[C](#[C]%12c1ccccc1)c1ccccc1)[C](#[C]7c1ccccc1)c1ccccc1.[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: 10.2863 ± 0.0003 Å
• b: 10.8987 ± 0.0004 Å
• c: 17.5682 ± 0.0005 Å
• α: 104.171 ± 0.0009°
• β: 103.203 ± 0.0009°
• γ: 92.3928 ± 0.0011°
• Cell volume: 1849.14 ± 0.1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153.15 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: 0.0545
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1493
• Weighted residual factors for all reflections included in the refinement: 0.1516
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No