Information card for entry 1518840

Structure parameters

• Formula: C29 H39 N4 P Ti
• Calculated formula: C29 H39 N4 P Ti
• SMILES: [Ti]123([P](CCCN1c1ccccc1)(CCCN2c1ccccc1)CCCN3c1ccccc1)N(C)C
• Title of publication: Phospha Derivatives of Tris(2-aminoethyl)amine (tren) and Tris(3-aminopropyl)amine (trpn): Synthesis and Complexation Studies with Group 4 Metals
• Authors of publication: Sietzen, Malte; Batke, Sonja; Merz, Lukas; Wadepohl, Hubert; Ballmann, Joachim
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 6
• Pages of publication: 1118
• a: 8.48075 ± 0.00019 Å
• b: 12.3163 ± 0.0002 Å
• c: 13.7435 ± 0.0003 Å
• α: 81.919 ± 0.0017°
• β: 81.3926 ± 0.0018°
• γ: 70.9432 ± 0.0019°
• Cell volume: 1335.1 ± 0.05 ų
• Cell temperature: 110 ± 1 K
• Ambient diffraction temperature: 110 ± 1 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: 0.0265
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections included in the refinement: 0.0669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No