Information card for entry 4100459

Structure parameters

• Formula: C40 H22 Al F15 Zr
• Calculated formula: C40 H22 Al F15 Zr
• SMILES: [Al]([CH]12[Zr]3456789%10%11([H]1)([H]2)(C)[c]1([cH]3[cH]4[c]25cccc[c]612)CC[c]17[cH]8[cH]9[c]2%10cccc[c]%1112)(c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 10.6403 ± 0.0013 Å
• b: 19.65 ± 0.003 Å
• c: 17.091 ± 0.002 Å
• α: 90°
• β: 94.803 ± 0.002°
• γ: 90°
• Cell volume: 3560.9 ± 0.8 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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