Information card for entry 7116673

Structure parameters

• Formula: C432 H360 B28 F112 N72 O0 Pd6 Zn8
• Calculated formula: C432 H360 B26 F104 N72 Pd6 Zn8
• SMILES: [Pd]123[n]4ccc(cc4)c4c[n]5[Zn]678([N](=Cc5cc4)c4ccc(cc4)C)[n]4cc(ccc4C=[N]6c4ccc(cc4)C)c4cc[n]([Pd]56[n]9ccc(cc9)c9c[n]%10[Zn]%11%12([N](=Cc%10cc9)c9ccc(cc9)C)([n]9cc(c%10cc[n]1cc%10)ccc9C=[N]%11c1ccc(cc1)C)[n]1cc(c9cc[n]([Pd]%10%11[n]%13ccc(cc%13)c%13c[n]%14[Zn]%15%16%17([N](=Cc%14cc%13)c%13ccc(cc%13)C)[n]%13cc(c%14cc[n]([Pd]%18([n]%19ccc(cc%19)c%19c[n]%20[Zn]%21%22([N](=Cc%20cc%19)c%19ccc(cc%19)C)([n]%19cc(c%20cc[n]%10cc%20)ccc%19C=[N]%21c%10ccc(cc%10)C)[n]%10cc(c%19cc[n]2cc%19)ccc%10C=[N]%22c2ccc(cc2)C)[n]2ccc(cc2)c2c[n]%10[Zn]%19%20%21([n]%22cc(c%23cc[n]([Pd]([n]%24ccc(cc%24)c%24c[n]%25[Zn]%26%27([n]%28cc(c%29cc[n]([Pd]([n]%30ccc(cc%30)c%30c[n]%20c(cc%30)C=[N]%21c%20ccc(cc%20)C)([n]%20ccc(cc%20)c%20c[n]%16c(cc%20)C=[N]%17c%16ccc(cc%16)C)[n]%16ccc(cc%16)c%16ccc%17[n]([Zn]%20%21([n]%30c(ccc(c%31cc[n]%11cc%31)c%30)C=[N]%20c%11ccc(cc%11)C)([n]%11c(ccc(c%20cc[n]6cc%20)c%11)C=[N]%21c6ccc(cc6)C)[N](=C%17)c6ccc(cc6)C)c%16)cc%29)ccc%28C=[N]%26c6ccc(cc6)C)([N](=Cc%25cc%24)c6ccc(cc6)C)[n]6cc(c%11cc[n]5cc%11)ccc6C=[N]%27c5ccc(cc5)C)([n]5ccc(cc5)c5c[n]8c(C=[N]7c6ccc(cc6)C)cc5)[n]5ccc(cc5)c5ccc6[n]([Zn]78([n]%11c(ccc(c%16cc[n]3cc%16)c%11)C=[N]7c3ccc(cc3)C)([n]3c(ccc(c7cc[n]%18cc7)c3)C=[N]8c3ccc(cc3)C)[N](=C6)c3ccc(cc3)C)c5)cc%23)ccc%22C=[N]%19c3ccc(cc3)C)[N](=Cc%10cc2)c2ccc(cc2)C)cc%14)ccc%13C=[N]%15c2ccc(cc2)C)cc9)ccc1C=[N]%12c1ccc(cc1)C)cc4.[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-][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-][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-][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
• 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: 31.0248 ± 0.001 Å
• b: 31.0248 ± 0.001 Å
• c: 42.9572 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 35808 ± 2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 163
• Hermann-Mauguin space group symbol: P -3 1 c
• Hall space group symbol: -P 3 2c
• Residual factor for all reflections: 0.1254
• Residual factor for significantly intense reflections: 0.0986
• Weighted residual factors for significantly intense reflections: 0.2846
• Weighted residual factors for all reflections included in the refinement: 0.3192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.193
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Duplicate of: 7116593
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No