Information card for entry 1572054

Structure parameters

• Formula: C138 H106 Cu4 F12 N4 P6 Pt2
• Calculated formula: C138 H108 Cu4 F12 N4 P6 Pt2
• SMILES: [Cu]([n]1ccccc1[P]([Pt]123)(c4ccccc4)c4ccccc4)[n]4ccccc4[P](c4ccccc4)(c4ccccc4)[Pt]([P](c4[n]([Cu][n]5ccccc5[P]3(c3ccccc3)c3ccccc3)cccc4)(c3ccccc3)c3ccccc3)([C](#Cc3ccc(cc3)c3ccccc3)[Cu][C]1#Cc1ccc(cc1)c1ccccc1)[C](#Cc1ccc(c3ccccc3)cc1)[Cu][C]2#Cc1ccc(cc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].c1(ccccc1)C.c1(ccccc1)C
• 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: 24.0292 ± 0.0003 Å
• b: 23.4432 ± 0.0003 Å
• c: 20.9407 ± 0.0003 Å
• α: 90°
• β: 90.254 ± 0.001°
• γ: 90°
• Cell volume: 11796.2 ± 0.3 ų
• Cell temperature: 100 ± 0.11 K
• Ambient diffraction temperature: 100 ± 0.11 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: 0.0752
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1495
• Weighted residual factors for all reflections included in the refinement: 0.1577
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No