Information card for entry 4062110

Structure parameters

• Common name: [Ti(eta5-Ind){C(NMe2)N(2,6-Me2Ph)}Cl2]
• Formula: C20 H22 Cl2 N2 Ti
• Calculated formula: C20 H22 Cl2 N2 Ti
• SMILES: [Ti]12345(Cl)(Cl)([N](c6c(cccc6C)C)=C5N(C)C)[c]56[cH]4[cH]3[cH]2[c]15cccc6
• 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: 7.211 ± 0.002 Å
• b: 10.872 ± 0.002 Å
• c: 14.069 ± 0.002 Å
• α: 98.41 ± 0.02°
• β: 102.31 ± 0.02°
• γ: 106.73 ± 0.02°
• Cell volume: 1006.4 ± 0.4 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