Information card for entry 7116594

Structure parameters

• Formula: C456 H408 B28 F112 N72 O0 Pd6 Zn8
• Calculated formula: C456 H408 B8 F32 N72 Pd6 Zn8
• SMILES: [B](F)(F)(F)[F-].c1cc2cc[n]1[Pd]13[n]4ccc(cc4)c4c[n]5c(cc4)C=[N]([C@@H](C)c4ccccc4)[Zn]4675[n]5cc(c8cc[n](cc8)[Pd]89[n]%10ccc(cc%10)c%10c[n]%11c(cc%10)C=[N]([C@@H](C)c%10ccccc%10)[Zn]%10%12%13%11[n]%11cc(c%14cc[n](cc%14)[Pd]%14%15[n]%16ccc(cc%16)c%16c[n]%17c(cc%16)C=[N]([C@@H](C)c%16ccccc%16)[Zn]%16%18%19%17[n]%17cc(c%20cc[n](cc%20)[Pd]%20([n]%21ccc(cc%21)c%21c[n]%22[Zn]%23%24([n]%25cc2ccc%25C=[N]%23[C@@H](C)c2ccccc2)([N](=Cc%22cc%21)[C@@H](C)c2ccccc2)[n]2cc(c%21cc[n](cc%21)[Pd]([n]%21ccc(cc%21)c%21c[n]%10c(cc%21)C=[N]%13[C@@H](C)c%10ccccc%10)([n]%10ccc(cc%10)c%10c[n]%13c(cc%10)C=[N]([C@@H](C)c%10ccccc%10)[Zn]%10%21%13([n]%13cc(c%22cc[n]9cc%22)ccc%13C=[N]%10[C@@H](C)c9ccccc9)[n]9cc(c%10cc[n]1cc%10)ccc9C=[N]%21[C@@H](C)c1ccccc1)[n]1ccc(cc1)c1c[n]9c(cc1)C=[N]([C@@H](C)c1ccccc1)[Zn]1%109([n]9cc(c%13cc[n]%20cc%13)ccc9C=[N]1[C@@H](C)c1ccccc1)[n]1cc(c9cc[n]%15cc9)ccc1C=[N]%10[C@@H](C)c1ccccc1)ccc2C=[N]%24[C@@H](C)c1ccccc1)[n]1ccc(cc1)c1c[n]2c(cc1)C=[N]([C@@H](C)c1ccccc1)[Zn]192([n]2cc(c%10cc[n]3cc%10)ccc2C=[N]1[C@@H](C)c1ccccc1)[n]1cc(c2cc[n](cc2)[Pd]([n]2ccc(cc2)c2c[n]6c(cc2)C=[N]7[C@@H](C)c2ccccc2)([n]2ccc(cc2)c2c[n]%18c(cc2)C=[N]%19[C@@H](C)c2ccccc2)[n]2ccc(cc2)c2c[n]3c(cc2)C=[N]([C@@H](C)c2ccccc2)[Zn]263([n]3cc(c7cc[n]8cc7)ccc3C=[N]2[C@@H](C)c2ccccc2)[n]2cc(c3cc[n]%14cc3)ccc2C=[N]6[C@@H](C)c2ccccc2)ccc1C=[N]9[C@@H](C)c1ccccc1)ccc%17C=[N]%16[C@@H](C)c1ccccc1)ccc%11C=[N]%12[C@@H](C)c1ccccc1)ccc5C=[N]4[C@@H](C)c1ccccc1.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• Title of publication: Diastereoselective synthesis of O symmetric heterometallic cubic cages
• Authors of publication: Yang, Yang; Jia, Jian-Hua; Pei, Xiao-Li; Zheng, Hao; Nan, Zi-Ang; Wang, Quan-Ming
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 18
• Pages of publication: 3804 - 3807
• a: 25.9101 ± 0.0003 Å
• b: 25.9101 ± 0.0003 Å
• c: 25.9101 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17394.3 ± 0.3 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 207
• Hermann-Mauguin space group symbol: P 4 3 2
• Hall space group symbol: P 4 2 3
• Residual factor for all reflections: 0.105
• Residual factor for significantly intense reflections: 0.0763
• Weighted residual factors for significantly intense reflections: 0.2291
• Weighted residual factors for all reflections included in the refinement: 0.2642
• Goodness-of-fit parameter for all reflections included in the refinement: 0.883
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No