Information card for entry 4062254

Structure parameters

• Formula: C34 H50 B10 N2 S4 Zr
• Calculated formula: C34 H50 B10 N2 S4 Zr
• SMILES: [Zr]1234567([S]=C(S1)N(C)C)(SC(=[S]2)N(C)C)[C]1289[C]%10%11%12([BH]%13%141[BH]1%15%10[BH]%10%16%11[BH]%112%12[BH]2%12%16[BH]%16%15%10[BH]%10%141[BH]18%13[BH]9%112[BH]%12%16%101)C(C)(C)[c]13[cH]4[cH]5[c]27cccc[c]612.c1(ccccc1)C.c1(ccccc1)C
• 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: 11.556 ± 0.001 Å
• b: 12.393 ± 0.001 Å
• c: 29.481 ± 0.003 Å
• α: 90°
• β: 102.29 ± 0.004°
• γ: 90°
• Cell volume: 4125.3 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No