Information card for entry 4062259

Structure parameters

• Formula: C23 H43 B10 N3 S Zr
• Calculated formula: C23 H43 B10 N3 S Zr
• SMILES: [Zr]123456([S]=C(N6CCCC)N(C)C)([C]789%10[C]%11%12%13([BH]%14%157[BH]7%16%11[BH]%11%17%12[BH]%128%13[BH]8%13%17[BH]%17%16%11[BH]%11%157[BH]79%14[BH]%10%128[BH]%13%17%117)C(C)(C)[c]71[cH]2[cH]3[c]15cccc[c]471)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: 12.738 ± 0.001 Å
• b: 16.624 ± 0.001 Å
• c: 15.883 ± 0.001 Å
• α: 90°
• β: 113.164 ± 0.002°
• γ: 90°
• Cell volume: 3092.3 ± 0.5 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/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No