Information card for entry 4345460

Structure parameters

• Formula: C56 H99 Li N2 O4 P2 Si Ti
• Calculated formula: C56 H99 Li N2 O4 P2 Si Ti
• SMILES: c1(c(cccc1C(C)C)C(C)C)[N]1=C(C)C=C(C)[Ti]1(=Nc1c(cccc1C(C)C)C(C)C)P([Si](C)(C)C)P(C(C)(C)C)C(C)(C)C.[O]1(CCCC1)[Li]([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• Title of publication: Reactions of Lithiated Diphosphanes R2P-P(SiMe3)Li (R = tBu and iPr) with [(Me)NacnacTiCl2·THF] and [(Me)NacnacTiCl3]. Formation and Structure of Titanium(III) and Titanium(IV) β-Diketiminato Complexes Bearing the Side-on Phosphanylphosphido and Phosphanylphosphinidene Functionalities.
• Authors of publication: Ponikiewski, Ł; Ziółkowska, A; Pikies, J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 3
• Pages of publication: 1094 - 1103
• a: 17.0217 ± 0.0007 Å
• b: 18.9206 ± 0.0007 Å
• c: 20.8104 ± 0.0007 Å
• α: 65.152 ± 0.003°
• β: 83.292 ± 0.003°
• γ: 89.663 ± 0.003°
• Cell volume: 6033.2 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1629
• Residual factor for significantly intense reflections: 0.0918
• Weighted residual factors for significantly intense reflections: 0.2526
• Weighted residual factors for all reflections included in the refinement: 0.3304
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No