Information card for entry 7113627

Structure parameters

• Formula: C37 H62 F5 N9 Ti
• Calculated formula: C37 H62 F5 N9 Ti
• SMILES: [Ti]123(N(c4c(F)c(F)c(F)c(F)c4F)C(=NC4CCCCC4)N1C1CCCCC1)([N](C(C)C)=C(N2C(C)C)N(C)C)[N](C(C)C)=C(N3C(C)C)N(C)C
• Title of publication: Catalytic C=N bond metathesis of carbodiimides by group 4 and 5 imido complexes supported by guanidinate ligands
• Authors of publication: Ong, Tiow-Gan; Yap, Glenn P. A.; Richeson, Darrin S.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 20
• Pages of publication: 2612 - 2613
• a: 11.0583 ± 0.0013 Å
• b: 12.7145 ± 0.0015 Å
• c: 14.9289 ± 0.0018 Å
• α: 88.106 ± 0.002°
• β: 83.591 ± 0.002°
• γ: 82.446 ± 0.002°
• Cell volume: 2067.4 ± 0.4 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1376
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.1441
• Weighted residual factors for all reflections included in the refinement: 0.173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7104857
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No