Information card for entry 7714554

Structure parameters

• Formula: C92 H77 B Cl2 Cu4 N4 P4
• Calculated formula: C92 H77 B Cl2 Cu4 N4 P4
• SMILES: [Cu]123456[Cu]789%10([Cu]%11%121([Cu]29([H]6%10%12)([Cl]3)([P](c1[n]8cccc1)(c1ccccc1)c1ccccc1)[n]1c([P]%11(c2ccccc2)c2ccccc2)cccc1)([Cl]7)[n]1c([P]4(c2ccccc2)c2ccccc2)cccc1)[P](c1[n]5cccc1)(c1ccccc1)c1ccccc1.c1ccccc1[B-](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Large-scale synthesis, mechanism, and application of a luminescent copper hydride nanocluster.
• Authors of publication: Xu, Tingting; Wang, Endong; Liu, Shuai; Wei, Zhezhen; Yin, Peiqun; Sun, Jianan; Xu, Wen Wu; Song, Yongbo
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• a: 16.0437 ± 0.0003 Å
• b: 30.6258 ± 0.0007 Å
• c: 18.2015 ± 0.0004 Å
• α: 90°
• β: 97.903 ± 0.002°
• γ: 90°
• Cell volume: 8858.4 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.0601
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1272
• Weighted residual factors for all reflections included in the refinement: 0.1364
• Goodness-of-fit parameter for all reflections included in the refinement: 0.799
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No