Information card for entry 1572052

Structure parameters

• Formula: C116 H84 Cu4 F12 N4 P6 Pt2
• Calculated formula: C116 H84 Cu4 F12 N4 P6 Pt2
• SMILES: [C]12#[C](c3ccc4ccccc4c3)[Cu]345671[C](#[C]3c1cc3ccccc3cc1)[Pt]1389%105[P](c5ccccc5)(c5ccccc5)c5[n]([Cu]%11%12%1341[n]1c([P]([Pt]4%14%1526%11[C]2#[C](c6ccc%11ccccc%11c6)[Cu]6%10%13%152([C]8#[C]6c2cc6ccccc6cc2)[Cu]79%12%14([n]2c([P]3(c3ccccc3)c3ccccc3)cccc2)[n]2c([P]4(c3ccccc3)c3ccccc3)cccc2)(c2ccccc2)c2ccccc2)cccc1)cccc5.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Highly intense NIR emissive Cu₄Pt₂ bimetallic clusters featuring Pt(i)-Cu₄-Pt(i) sandwich kernel.
• Authors of publication: Zhong, Rui-Ru; Xie, Mo; Luan, Cui-Zhou; Zhang, Lin-Mei; Hao, De-Bo; Yuan, Shang-Fu; Wu, Tao
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 20
• Pages of publication: 7552 - 7559
• a: 22.2403 ± 0.0003 Å
• b: 19.9911 ± 0.0002 Å
• c: 22.5255 ± 0.0003 Å
• α: 90°
• β: 94.39 ± 0.001°
• γ: 90°
• Cell volume: 9985.6 ± 0.2 ų
• Cell temperature: 100.01 ± 0.11 K
• Ambient diffraction temperature: 100.01 ± 0.11 K
• Number of distinct elements: 7
• 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: 0.0527
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1313
• Weighted residual factors for all reflections included in the refinement: 0.135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No