Information card for entry 4060746

Structure parameters

• Formula: C44 H64 N4 O2 Ti2
• Calculated formula: C44 H64 N4 O2 Ti2
• SMILES: [Ti]123456789%10([Ti]%11%12%13%14%15%16%17([H]1)([N](=[C]%12(N%11CC)c1c%11Oc%12c([C]4(=[N]2CC)N3C(C)(C)C)cccc%12C(C)(C)c%11ccc1)C(C)(C)C)([CH]5([H]6)[H]%13)[cH]1[cH]%17[cH]%16[cH]%15[cH]%141)[cH]1[cH]7[cH]8[cH]9[cH]%101.O(CC)CC
• Journal of publication: Organometallics
• Year of publication: 2003
• a: 9.6543 ± 0.0004 Å
• b: 13.639 ± 0.0005 Å
• c: 16.6895 ± 0.0007 Å
• α: 98.725 ± 0.001°
• β: 101.059 ± 0.001°
• γ: 101.667 ± 0.001°
• Cell volume: 2070.32 ± 0.14 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 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: Yes
• Has Fobs: No