Information card for entry 4345459

Structure parameters

• Formula: C35 H55 Cl N2 P2 Ti
• Calculated formula: C35 H55 Cl N2 P2 Ti
• SMILES: c1(c(cccc1C(C)C)C(C)C)[N]1=C(C)C=C(C)N(c2c(cccc2C(C)C)C(C)C)[Ti]21(=P[P]2(C(C)C)C(C)C)Cl
• 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: 10.6082 ± 0.0005 Å
• b: 21.4838 ± 0.0007 Å
• c: 16.8009 ± 0.0007 Å
• α: 90°
• β: 108.142 ± 0.003°
• γ: 90°
• Cell volume: 3638.7 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0655
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.0786
• Goodness-of-fit parameter for all reflections included in the refinement: 0.869
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No