Information card for entry 2312001

Structure parameters

• Chemical name: Hexakis(2,6-diisopropylphenyl isocyanide)niobium(0)
• Formula: C78 H102 N6 Nb
• Calculated formula: C78 H102 N6 Nb
• Title of publication: Niobium isocyanide complexes, Nb(CNAr)₆, with Ar = 2,6-dimethylphenyl (Xyl), a diamagnetic dimer containing four reductively coupled isocyanides, and Ar = 2,6-diisopropylphenyl (Dipp), a paramagnetic monomer analogous to the highly unstable hexacarbonylniobium(0).
• Authors of publication: Kucera, Benjamin E.; Roberts, Christopher J.; Young, Jr, Victor G; Brennessel, William W.; Ellis, John E.
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2019
• Journal volume: 75
• Journal issue: Pt 9
• Pages of publication: 1259 - 1265
• a: 15.2582 ± 0.001 Å
• b: 15.2582 ± 0.001 Å
• c: 26.7313 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5389.6 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No