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Information card for entry 4326564
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Coordinates | 4326564.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [Ni(TpMe,Me)(H2O)3](SO2PhNO2) |
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Chemical name | [{Hydrotris(3,5-dimethylpyrazoryl)borato}(triaqua)nickel(II)] (4-nitrobenzenesufinate) |
Formula | C21 H32 B N7 Ni O7 S |
Calculated formula | C21 H32 B N7 Ni O7 S |
Title of publication | Dioxygen Activation and Substrate Oxygenation by a p-Nitrothiophenolatonickel Complex: Unique Effects of an Acetonitrile Solvent and the p-Nitro Group of the Ligand |
Authors of publication | Jun Nakazawa; Hiroyuki Ogiwara; Yusuke Kashiwazaki; Akiyoshi Ishii; Naoki Imamura; Yuya Samejima; Shiro Hikichi |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 9933 - 9935 |
a | 9.3936 ± 0.0003 Å |
b | 11.3494 ± 0.0004 Å |
c | 13.6952 ± 0.0006 Å |
α | 80.961 ± 0.01° |
β | 83.095 ± 0.012° |
γ | 67.303 ± 0.01° |
Cell volume | 1327.42 ± 0.13 Å3 |
Cell temperature | 113 K |
Ambient diffraction temperature | 113 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0494 |
Residual factor for significantly intense reflections | 0.0436 |
Weighted residual factors for significantly intense reflections | 0.1071 |
Weighted residual factors for all reflections included in the refinement | 0.1116 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.18 |
Diffraction radiation wavelength | 0.710747 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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