Information card for entry 7016087

Structure parameters

• Formula: C66 H73 B F20 N3 Nb O2
• Calculated formula: C66 H73 B F20 N3 Nb O2
• SMILES: [Nb]1(C)(=NC(C)(C)C)[N](c2c(cccc2C(C)C)C(C)C)=C(C)C=C(C)N1c1c(cccc1C(C)C)C(C)C.c1(c(c(c(c(c1F)F)F)F)F)[B-](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F.CCOCC.CCOCC
• Title of publication: Synthesis and reactivity of cationic niobium and tantalum methyl complexes supported by imido and β-diketiminato ligands.
• Authors of publication: Tomson, Neil C.; Arnold, John; Bergman, Robert G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 30
• Pages of publication: 7718 - 7729
• a: 13.616 ± 0.003 Å
• b: 16.444 ± 0.003 Å
• c: 17.04 ± 0.003 Å
• α: 114.348 ± 0.002°
• β: 102.282 ± 0.003°
• γ: 91.108 ± 0.003°
• Cell volume: 3371.7 ± 1.1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0935
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No