Information card for entry 2017543

Structure parameters

• Common name: Compound (V)
• Chemical name: 2-(Diphenylphosphinoylmethyl)pyrrole‒2-(diphenylphosphinomethyl)pyrrole (0.43/0.57)
• Formula: C17 H16 N O0.42 P
• Calculated formula: C17 H16 N O0.4305 P
• 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: 9.6282 ± 0.0009 Å
• b: 15.2848 ± 0.0014 Å
• c: 20.391 ± 0.002 Å
• α: 90°
• β: 101.376 ± 0.008°
• γ: 90°
• Cell volume: 2941.9 ± 0.5 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1373
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.0798
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes