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Information card for entry 4119661
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Coordinates | 4119661.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [Ni(TPCF3,Me)Br] |
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Chemical name | [bromido{Hydrotris(5-methyl-3-(trifluoro)methyl- pyrazoryl)borato}nickel(II)] |
Formula | C15 H13 B Br F9 N6 Ni |
Calculated formula | C15 H13 B Br F9 N6 Ni |
Title of publication | Structural Characterization and Oxidation Reactivity of a Nickel(II) Acylperoxo Complex |
Authors of publication | Jun Nakazawa; Shota Terada; Masaki Yamada; Shiro Hikichi |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2013 |
Journal volume | 135 |
Pages of publication | 6010 - 6013 |
a | 8.698 ± 0.005 Å |
b | 13.345 ± 0.007 Å |
c | 17.896 ± 0.01 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2077 ± 2 Å3 |
Cell temperature | 113 ± 2 K |
Ambient diffraction temperature | 113 ± 2 K |
Number of distinct elements | 7 |
Space group number | 62 |
Hermann-Mauguin space group symbol | P c m n |
Hall space group symbol | -P 2n 2ac |
Residual factor for all reflections | 0.0542 |
Residual factor for significantly intense reflections | 0.0506 |
Weighted residual factors for significantly intense reflections | 0.1151 |
Weighted residual factors for all reflections included in the refinement | 0.1194 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4119661.html
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