Information card for entry 4062111

Structure parameters

• Common name: [Zr(eta5-Ind){C(NMe2)N(2,6-Me2Ph)}2Cl]
• Formula: C62 H74 Cl2 N8 Zr2
• Calculated formula: C62 H74 Cl2 N8 Zr2
• SMILES: [Zr]123456(Cl)([N](c7c(cccc7C)C)=C3N(C)C)([cH]3[cH]5[cH]2[c]21[c]63cccc2)C(=[N]4c1c(cccc1C)C)N(C)C
• Title of publication: Insertion of Isocyanides into Group 4 Metal-Carbon and Metal-Nitrogen Bonds. Syntheses and DFT Calculations
• Authors of publication: Martins, Ana M.; Ascenso, José R.; de Azevedo, Cristina G.; Dias, Alberto R.; Duarte, M. Teresa; da Silva, João F.; Veiros, Luís F.; Rodrigues, Sandra S.
• Journal of publication: Organometallics
• Year of publication: 2003
• Journal volume: 22
• Journal issue: 21
• Pages of publication: 4218 - 4228
• a: 12.505 ± 0.002 Å
• b: 15.839 ± 0.003 Å
• c: 17.342 ± 0.003 Å
• α: 90°
• β: 90.113 ± 0.001°
• γ: 90°
• Cell volume: 3434.9 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No