Information card for entry 4060479

Structure parameters

• Formula: C45 H72 F3 N3 O3 S Ti
• Calculated formula: C45 H72 F3 N3 O3 S Ti
• SMILES: [Ti]12(N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)(N(/C2=C/C(C)(C)C)C(C)(C)C)OS(=O)(=O)C(F)(F)F.CCCCC
• Authors of publication: Vojtech Jancik; Leslie W. Pineda; A. Claudia Stückl; Herbert W. Roesky; Regine Herbst-Irmer
• Journal of publication: Organometallics
• Year of publication: 2005
• a: 15.851 ± 0.003 Å
• b: 16.4 ± 0.003 Å
• c: 18.475 ± 0.003 Å
• α: 87.6 ± 0.004°
• β: 82.003 ± 0.004°
• γ: 89.976 ± 0.004°
• Cell volume: 4751.7 ± 1.5 ų
• Cell temperature: 136 ± 2 K
• Ambient diffraction temperature: 136 ± 2 K
• Number of distinct elements: 7
• 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