Information card for entry 4343173

Structure parameters

• Formula: C54 H54 N3 P Ta
• Calculated formula: C54 H53 N3 P Ta
• SMILES: [P]123c4c(cccc4)[CH]4[Ta]1(N(Cc1c2cccc1)c1cc(C)cc(c1)C)([N]=4c1cc(cc(c1)C)C)N(Cc1c3cccc1)c1cc(cc(c1)C)C.c1ccccc1.c1ccccc1
• 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: 12.0019 ± 0.0006 Å
• b: 13.7239 ± 0.0007 Å
• c: 15.1796 ± 0.0009 Å
• α: 77.885 ± 0.005°
• β: 68.693 ± 0.005°
• γ: 70.19 ± 0.005°
• Cell volume: 2180.8 ± 0.2 ų
• Cell temperature: 110 ± 1 K
• Ambient diffraction temperature: 110 ± 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: 0.1089
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.1472
• Weighted residual factors for all reflections included in the refinement: 0.1948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No