Information card for entry 7040065

Structure parameters

• Common name: [(BDI)CpNb(NtBu)][BPh4]
• Formula: C62.5 H76 B Cl N3 Nb
• Calculated formula: C62 H75 B N3 Nb
• Title of publication: Unusual κ1 coordination of a β-diketiminate ligand in niobium complexes.
• Authors of publication: Ziegler, Jessica A.; Bergman, Robert G.; Arnold, John
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 32
• Pages of publication: 12661 - 12668
• a: 17.283 ± 0.005 Å
• b: 17.704 ± 0.005 Å
• c: 19.633 ± 0.005 Å
• α: 66.416 ± 0.005°
• β: 83.348 ± 0.005°
• γ: 88.954 ± 0.005°
• Cell volume: 5466 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0469
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.0857
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No