Information card for entry 4343174

Structure parameters

• Formula: C68 H72 N4 Nb P Si
• Calculated formula: C68 H72 N4 Nb P Si
• SMILES: [Nb]123([P](c4ccccc4CN1c1cc(cc(c1)C)C)(c1ccccc1CN2c1cc(cc(c1)C)C)c1ccccc1CN3c1cc(cc(c1)C)C)=N[Si](c1ccccc1)(c1ccccc1)c1ccccc1.CCCCC
• 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: 16.52024 ± 0.0001 Å
• b: 17.88962 ± 0.00009 Å
• c: 19.80583 ± 0.0001 Å
• α: 90°
• β: 96.7076 ± 0.0005°
• γ: 90°
• Cell volume: 5813.37 ± 0.05 ų
• Cell temperature: 110 ± 1 K
• Ambient diffraction temperature: 110 ± 1 K
• Number of distinct elements: 6
• 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: 0.039
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.0807
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No