Information card for entry 4135539

Structure parameters

• Formula: C204 H216 B0 F0 N48 O0 Pd6
• Calculated formula: C204 H216 N48 Pd6
• SMILES: [n]12ccc(cc1)c1nc3nc(n1)c1cc[n](cc1)[Pd]1([n]4ccc(c5nc6c7cc[n](cc7)[Pd]7([n]8ccc(c9nc(c%10cc[n](cc%10)[Pd]%102[N](CC[N]%10(C)C)(C)C)nc(c2cc[n+](cc2)Cc2ccc(cc2)c2ccc(cc2)c2ccc(cc2)C[n+]2ccc(cc2)c2nc%10nc(n2)c2cc[n](cc2)[Pd]2([n]%11ccc(c%12nc(c%13cc[n+](Cc%14ccc(c%15ccc(c%16ccc(C[n+]%17ccc3cc%17)cc%16)cc%15)cc%14)cc%13)nc(n%12)c3cc[n](cc3)[Pd]3([n]%12ccc(c%13nc(c%14cc[n+](Cc%15ccc(c%16ccc(c%17ccc(C[n+]%18ccc(c(n5)n6)cc%18)cc%17)cc%16)cc%15)cc%14)nc(n%13)c5cc[n](cc5)[Pd]5([n]6ccc%10cc6)[N](CC[N]5(C)C)(C)C)cc%12)[N](CC[N]3(C)C)(C)C)cc%11)[N](CC[N]2(C)C)(C)C)n9)cc8)[N](CC[N]7(C)C)(C)C)cc4)[N](CC[N]1(C)C)(C)C
• Title of publication: Controlled Self-Assembly and Multistimuli-Responsive Interconversions of Three Conjoined Twin-Cages.
• Authors of publication: Cai, Li-Xuan; Yan, Dan-Ni; Cheng, Pei-Ming; Xuan, Jin-Jin; Li, Shao-Chuan; Zhou, Li-Peng; Tian, Chong-Bin; Sun, Qing-Fu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2021
• a: 16.0016 ± 0.0017 Å
• b: 19.225 ± 0.003 Å
• c: 65.934 ± 0.009 Å
• α: 93.64 ± 0.002°
• β: 94.207 ± 0.002°
• γ: 113.095 ± 0.002°
• Cell volume: 18513 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1676
• Residual factor for significantly intense reflections: 0.1167
• Weighted residual factors for significantly intense reflections: 0.317
• Weighted residual factors for all reflections included in the refinement: 0.3539
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.65253 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No