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Information card for entry 4089070
Preview
Coordinates | 4089070.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C55 H69 B F15 N3 Zr |
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Calculated formula | C55 H69 B F15 N3 Zr |
SMILES | [Zr](N(C1CCCCC1)C1CCCCC1)(N(C1CCCCC1)C1CCCCC1)N(C1CCCCC1)C1CCCCC1.Fc1c(c(F)c(F)c(F)c1F)[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)C |
Title of publication | Zwitterionic d0Metal Complexes [(Cy2N)3M]+[(μ-Me)B(C6F5)3]−(M = Ti, Zr, Hf) Derived from Tris(dicyclohexylamido)methyl Metal Precursors |
Authors of publication | Adler, Christian; Frerichs, Nils; Schmidtmann, Marc; Beckhaus, Rüdiger |
Journal of publication | Organometallics |
Year of publication | 2016 |
Journal volume | 35 |
Journal issue | 21 |
Pages of publication | 3728 |
a | 25.1423 ± 0.0008 Å |
b | 12.1416 ± 0.0004 Å |
c | 17.4552 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5328.5 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0567 |
Residual factor for significantly intense reflections | 0.0371 |
Weighted residual factors for significantly intense reflections | 0.0679 |
Weighted residual factors for all reflections included in the refinement | 0.0742 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4089070.html
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Users of the data should acknowledge the original authors of the
structural data.