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Information card for entry 2312000
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Coordinates | 2312000.cif |
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Original IUCr paper | HTML |
Chemical name | Bis[μ-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''-tetrakis(2,6-\ dimethylphenyl)squaramidinato(2-)]bis[tetrakis(2,6-dimethylphenyl isocyanide)niobium(I)] tetrahydrofuran trisolvate |
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Formula | C120 H132 N12 Nb2 O3 |
Calculated formula | C120 H132 N12 Nb2 O3 |
Title of publication | Niobium isocyanide complexes, Nb(CNAr)<sub>6</sub>, 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 | 12.2029 ± 0.0013 Å |
b | 12.5921 ± 0.0014 Å |
c | 19.676 ± 0.002 Å |
α | 95.62 ± 0.002° |
β | 101.807 ± 0.002° |
γ | 113.236 ± 0.002° |
Cell volume | 2665.2 ± 0.5 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0831 |
Residual factor for significantly intense reflections | 0.0476 |
Weighted residual factors for significantly intense reflections | 0.0939 |
Weighted residual factors for all reflections included in the refinement | 0.1065 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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