Information card for entry 4343172

Structure parameters

• Formula: C62 H68 N3 P2 Ta
• Calculated formula: C48 H52 N3 P2 Ta
• SMILES: [Ta]12345([P](c6c(cccc6)[CH]4=[N]1c1cc(cc(c1)C)C)(c1c(cccc1)[CH]5=[N]2c1cc(cc(c1)C)C)c1c(cccc1)CN3c1cc(cc(c1)C)C)[P](C)(C)C
• Title of publication: Synthesis and reactivity of cyclometalated triamidophosphine complexes of niobium and tantalum.
• Authors of publication: Sietzen, Malte; Wadepohl, Hubert; Ballmann, Joachim
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 8
• Pages of publication: 4094 - 4103
• a: 11.5569 ± 0.0003 Å
• b: 14.4348 ± 0.0002 Å
• c: 17.0151 ± 0.0004 Å
• α: 72.9853 ± 0.0017°
• β: 88.354 ± 0.002°
• γ: 69.0792 ± 0.0018°
• Cell volume: 2526.17 ± 0.1 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No