Information card for entry 4062713

Structure parameters

• Formula: C36 H20 B F15 Zr
• Calculated formula: C36 H20 B F15 Zr
• SMILES: [Zr]123456789%10%11(C(=[C]1(C2=C3C)[B](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)C)([c]1([cH]4[cH]5[cH]6[cH]71)C)[c]1([cH]8[cH]9[cH]%10[cH]%111)C
• Journal of publication: Organometallics
• Year of publication: 2004
• a: 15.6168 ± 0.0001 Å
• b: 20.0336 ± 0.0002 Å
• c: 20.2833 ± 0.0002 Å
• α: 90°
• β: 90.012 ± 0.001°
• γ: 90°
• Cell volume: 6345.85 ± 0.1 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No