Information card for entry 4079372

Structure parameters

• Common name: Moris-247 (Tatiana)
• Formula: C36 H46 N6 Ti
• Calculated formula: C36 H46 N6 Ti
• SMILES: [Ti]12([N](=C(N1c1ccccc1)C(C)C)c1ccccc1)([N](=C(N2c1ccccc1)C(C)C)c1ccccc1)(N(C)C)N(C)C
• 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: 16.37 ± 0.003 Å
• b: 10.527 ± 0.002 Å
• c: 20.018 ± 0.004 Å
• α: 90°
• β: 98.81 ± 0.03°
• γ: 90°
• Cell volume: 3408.9 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0736
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.1398
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No