Information card for entry 4343175

Structure parameters

• Formula: C53 H59 N5 Nb P Si
• Calculated formula: C53 H59 N5 Nb P Si
• SMILES: [Nb]123([P](c4c(CN1c1cc(cc(c1)C)C)cccc4)(c1c(CN2c2cc(cc(c2)C)C)cccc1)c1c(CN3c2cc(cc(c2)C)C)cccc1)(=N[Si](C)(C)C)[n]1ccccc1
• 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: 12.33713 ± 0.00018 Å
• b: 12.97373 ± 0.00017 Å
• c: 16.8536 ± 0.0002 Å
• α: 73.3096 ± 0.0011°
• β: 68.5804 ± 0.0012°
• γ: 73.5376 ± 0.0012°
• Cell volume: 2356.76 ± 0.06 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: 0.0329
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No