Information card for entry 4100268

Structure parameters

• Formula: C26 H30 B10 N2 Zr
• Calculated formula: C26 H30 B10 N2 Zr
• SMILES: [Zr]12345678%19([N]#Cc9ccccc9)(N=C([C]9%10%11%12[C]%13%14%151[BH]1%169[BH]9%17%10[BH]%10%18%11[BH]%11%12%13[BH]%12%13%18[BH]%18%17%10[BH]%10%169[BH]9%141[BH]%15%11%12[BH]%13%18%109)c1ccccc1)([cH]1[cH]%19[cH]4[cH]3[cH]21)[cH]1[cH]5[cH]6[cH]7[cH]81
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 11.009 ± 0.002 Å
• b: 11.266 ± 0.002 Å
• c: 22.931 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2844.2 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No