Information card for entry 4300374

Structure parameters

• Formula: C39 H54 B2 F8 N6 O5 S2 Zn3
• Calculated formula: C39 H54 B2 F8 N6 O5 S2 Zn3
• SMILES: [Zn]1234[S]([Zn]5([S]6[Zn]78([n]9ccccc9CC[N]7(CCc7[n]8cccc7)CC6(C)C)OC=[O]5)[O]=CO4)C(C[N]2(CCc2[n]1cccc2)CCc1[n]3cccc1)(C)C.[B](F)(F)(F)[F-].OC
• Authors of publication: Karambelkar, Vivek; Xiao, Chuanyun; Zhang, Yingkai; Narducci Sarjeant, Amy A.; Goldberg, David P.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• a: 14.8866 ± 0.0006 Å
• b: 16.0517 ± 0.0006 Å
• c: 20.409 ± 0.0008 Å
• α: 84.238 ± 0.003°
• β: 77.781 ± 0.003°
• γ: 82.449 ± 0.003°
• Cell volume: 4711.7 ± 0.3 ų
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No