Information card for entry 4343171

Structure parameters

• Formula: C49 H55 N3 Nb P Si
• Calculated formula: C49 H55 N3 Nb P Si
• SMILES: [Nb]1234([P](c5ccccc5[CH]4=[N]1c1cc(cc(c1)C)C)(c1ccccc1CN2c1cc(cc(c1)C)C)c1ccccc1CN3c1cc(cc(c1)C)C)C[Si](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: 10.59319 ± 0.00018 Å
• b: 13.5033 ± 0.0002 Å
• c: 16.0085 ± 0.0003 Å
• α: 82.8627 ± 0.0015°
• β: 88.6467 ± 0.0015°
• γ: 70.9964 ± 0.0016°
• Cell volume: 2147.98 ± 0.07 ų
• Cell temperature: 110 ± 1 K
• Ambient diffraction temperature: 110 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0569
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0857
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No