Information card for entry 4100266

Structure parameters

• Formula: C22 H33 B10 N3 O Zr
• Calculated formula: C22 H33 B10 N3 O Zr
• SMILES: [Zr]123456789%20(N(=N[C]%10%11%12%13[C]%14%15%162[BH]2%17%10[BH]%10%18%14[BH]%14%19%15[BH]%15%11%16[BH]%11%16%19[BH]%19%18%14[BH]%14%17%10[BH]%10%122[BH]%13%15%11[BH]%16%19%14%10)=[N]1c1ccccc1)([cH]1[cH]3[cH]4[cH]%20[cH]51)[cH]1[cH]6[cH]7[cH]8[cH]91.C1CCCO1
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 10.8276 ± 0.0006 Å
• b: 11.4701 ± 0.0007 Å
• c: 11.7051 ± 0.0007 Å
• α: 72.599 ± 0.001°
• β: 78.075 ± 0.001°
• γ: 86.91 ± 0.001°
• Cell volume: 1357.19 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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