Information card for entry 2311999

Structure parameters

• Chemical name: Bis[μ-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''-tetrakis(2,6-\ dimethylphenyl)squaramidinato(2-)]bis[pentakis(2,6-dimethylphenyl isocyanide)niobium(I)]
• Formula: C126 H126 N14 Nb2
• Calculated formula: C126 H126 N14 Nb2
• 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: 32.077 ± 0.005 Å
• b: 15.83 ± 0.002 Å
• c: 24.815 ± 0.004 Å
• α: 90°
• β: 97.655 ± 0.002°
• γ: 90°
• Cell volume: 12488 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1024
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1263
• Weighted residual factors for all reflections included in the refinement: 0.1444
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No