Information card for entry 2237776

Structure parameters

• Chemical name: {<i>N</i>,<i>N</i>-Bis[bis(2,2,2-trifluoroethoxy)phosphanyl]methylamine-κ^2^<i>P</i>,<i>P</i>'}bis(η^5^-cyclopentadienyl)titanium(II)
• Formula: C19 H21 F12 N O4 P2 Ti
• Calculated formula: C19 H21 F12 N O4 P2 Ti
• SMILES: C(C(F)(F)F)O[P]1(N(C)[P](OCC(F)(F)F)(OCC(F)(F)F)[Ti]234567891([cH]1[cH]5[cH]4[cH]2[cH]31)[cH]1[cH]7[cH]9[cH]8[cH]61)OCC(F)(F)F
• Title of publication: {<i>N</i>,<i>N</i>-Bis[bis(2,2,2-trifluoroethoxy)phosphanyl]methylamine-κ^2^<i>P</i>,<i>P</i>'}bis(η^5^-cyclopentadienyl)titanium(II)
• Authors of publication: Haehnel, Martin; Hansen, Sven; Spannenberg, Anke; Beweries, Torsten
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 6
• Pages of publication: m346
• a: 14.6494 ± 0.0002 Å
• b: 20.0535 ± 0.0003 Å
• c: 8.7694 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2576.2 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0373
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes