Information card for entry 4062258

Structure parameters

• Formula: C42 H57 B10 N5 O4 Si Zr
• Calculated formula: C42 H57 B10 N5 O4 Si Zr
• SMILES: [Zr]1234567([O]=C(N2c2ccccc2)N(C)C)([O]=C(N(c2ccccc2)\C(=N\c2ccccc2)O1)N(C)C)[C]1289[C]%10%11%12([Si](C)(C)[c]%133[cH]4[cH]5[c]37cccc[c]6%133)[BH]341[BH]15%10[BH]67%11[BH]%102%12[BH]2%117[BH]756[BH]541[BH]183[BH]9%102[BH]%11751.O1CCCC1
• Title of publication: Multiple Insertion of Unsaturated Molecules into the Zr-N Bonds of [η^5^:σ-Me~2~A(C~9~H~6~)(C~2~B~10~H~10~)]Zr(NMe~2~)~2~ (A = C, Si)
• Authors of publication: Wang, Haiping; Li, Hung-Wing; Xie, Zuowei
• Journal of publication: Organometallics
• Year of publication: 2003
• Journal volume: 22
• Journal issue: 22
• Pages of publication: 4522 - 4531
• a: 12.708 ± 0.003 Å
• b: 14.3 ± 0.003 Å
• c: 14.366 ± 0.003 Å
• α: 70.15 ± 0.03°
• β: 78.06 ± 0.03°
• γ: 79.28 ± 0.03°
• Cell volume: 2383.3 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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