Information card for entry 4079374

Structure parameters

• Common name: Moris-224 (Tatiana)
• Formula: C36 H26 F20 N6 Ti
• Calculated formula: C36 H26 F20 N6 Ti
• SMILES: c1(c(F)c(F)c(F)c(c1N1[Ti]2([N](c3c(c(c(c(c3F)F)F)F)F)=C1C(C)C)([N](c1c(c(c(c(c1F)F)F)F)F)=C(N2c1c(c(F)c(F)c(F)c1F)F)C(C)C)(N(C)C)N(C)C)F)F
• Title of publication: Synthesis and Characterization of Group 4 Fluorinated Bis(amidinates) and Their Reactivity in the Formation of Elastomeric Polypropylene
• Authors of publication: Elkin, Tatyana; Aharonovich, Sinai; Botoshansky, Mark; Eisen, Moris S.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 21
• Pages of publication: 7404
• a: 11.929 ± 0.002 Å
• b: 17.908 ± 0.003 Å
• c: 18.271 ± 0.004 Å
• α: 90°
• β: 98.15 ± 0.03°
• γ: 90°
• Cell volume: 3863.7 ± 1.3 ų
• Cell temperature: 240 ± 2 K
• Ambient diffraction temperature: 240 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2288
• Residual factor for significantly intense reflections: 0.0754
• Weighted residual factors for significantly intense reflections: 0.1504
• Weighted residual factors for all reflections included in the refinement: 0.1926
• Goodness-of-fit parameter for all reflections included in the refinement: 0.846
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No