Information card for entry 4061120

Structure parameters

• Formula: C25 H32 Cl6 N4 O2 Ti
• Calculated formula: C25 H32 Cl6 N4 O2 Ti
• SMILES: [Ti]1(Cl)(Cl)(Cl)(Cl)[N](c2cccc(C)c2c2c([N]1=C1OCC(N1)(C)C)cccc2C)=C1OCC(N1)(C)C.ClCCl
• Journal of publication: Organometallics
• Year of publication: 2004
• a: 10.8613 ± 0.0002 Å
• b: 20.8319 ± 0.0003 Å
• c: 13.3001 ± 0.0003 Å
• α: 90°
• β: 94.44°
• γ: 90°
• Cell volume: 3000.29 ± 0.1 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No