Information card for entry 4062504

Structure parameters

• Formula: C40 H58 N4 Ti3 Tl2
• Calculated formula: C40 H58 N4 Ti3 Tl2
• SMILES: [Tl][NH]1[Ti]2345678([Ti]9%10%11%12%13%14([Ti]%15%16%17%1812(N39)(N%10)[c]1([c]%18([c]%17([c]%16([c]%151C)C)C)C)C)(N4)[c]1([c]%11([c]%12([c]%13([c]%141C)C)C)C)C)[c]1([c]5([c]6([c]7([c]81C)C)C)C)C.[Tl]123[CH]4[CH]1=[CH]2[CH]3=C4.[cH]1[cH][cH][cH][cH-]1
• Journal of publication: Organometallics
• Year of publication: 2004
• a: 14.445 ± 0.003 Å
• b: 12.943 ± 0.003 Å
• c: 24.06 ± 0.005 Å
• α: 90°
• β: 105.08 ± 0.03°
• γ: 90°
• Cell volume: 4343.4 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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