Information card for entry 2017544

Structure parameters

• Common name: Compound (VI)
• Chemical name: tetrachlorido(5-diphenylphosphinomethyl-2<i>H</i>-pyrrole- κ^2^<i>N</i>,<i>P</i>)titanium(IV)
• Formula: C17 H16 Cl4 N P Ti
• Calculated formula: C17 H16 Cl4 N P Ti
• SMILES: [Ti]1(Cl)(Cl)(Cl)(Cl)[N]2=C(C=CC2)C[P]1(c1ccccc1)c1ccccc1
• Title of publication: 2-(Diphenylphosphinoylmethyl)pyrrole‒2-(diphenylphosphinomethyl)pyrrole (0.43/0.57) and tetrachlorido(5-diphenylphosphinomethyl-2<i>H</i>-pyrrole-κ^2^<i>N</i>,<i>P</i>)titanium(IV)
• Authors of publication: Broomfield, Lewis M.; Bochmann, Manfred; Wright, Joseph A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: m79 - m82
• a: 8.1481 ± 0.0017 Å
• b: 8.6323 ± 0.0016 Å
• c: 14.202 ± 0.003 Å
• α: 98.159 ± 0.015°
• β: 98.727 ± 0.016°
• γ: 100.588 ± 0.016°
• Cell volume: 955.6 ± 0.3 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1329
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 0.889
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes