Information card for entry 7103502

Structure parameters

• Common name: 06269
• Formula: C51 H51 N O3.5 P3 Ta
• Calculated formula: C51 H51 N O3.5 P3 Ta
• Title of publication: A total loss of innocence: double ortho-metallation of bis(triphenylphosphano)iminium cation, [N(PPh(3))(2)](+), by tris(eta-naphthalene)tantalate(1-).
• Authors of publication: Sussman, Victor J; Ellis, John E
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 43
• Pages of publication: 5642 - 5644
• a: 14.5262 ± 0.0012 Å
• b: 20.6848 ± 0.0017 Å
• c: 29.699 ± 0.002 Å
• α: 90°
• β: 93.49 ± 0.002°
• γ: 90°
• Cell volume: 8907.2 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0568
• Weighted residual factors for all reflections included in the refinement: 0.0626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No