Information card for entry 4062250

Structure parameters

• Formula: C32 H44 B10 N4 Zr
• Calculated formula: C32 H44 B10 N4 Zr
• SMILES: [Zr]12345([C]6789[C]%10%11%12(C(C)(C)[c]%131[cH]2[cH]3[c]15[c]4%13cccc1)[BH]126[BH]34%10[BH]56%11[BH]%107%12[BH]7%116[BH]645[BH]423[BH]281[BH]9%107[BH]%11642)(N=C(c1ccccc1)N(C)C)N=C(c1ccccc1)N(C)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: 9.0185 ± 0.0007 Å
• b: 12.8991 ± 0.001 Å
• c: 16.4676 ± 0.0013 Å
• α: 72.577 ± 0.002°
• β: 79.589 ± 0.002°
• γ: 82.204 ± 0.002°
• Cell volume: 1790.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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