Information card for entry 7103503

Structure parameters

• Common name: 05303
• Formula: C50 H46 N O P2 Ta
• Calculated formula: C50 H46 N O P2 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: 10.6242 ± 0.001 Å
• b: 26.941 ± 0.003 Å
• c: 14.399 ± 0.0014 Å
• α: 90°
• β: 104.132 ± 0.002°
• γ: 90°
• Cell volume: 3996.6 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.0781
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No