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Information card for entry 4331592
Preview
Coordinates | 4331592.cif |
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Original paper (by DOI) | HTML |
Formula | C22 H43 B Ni O2 P2 |
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Calculated formula | C22 H43 B Ni O2 P2 |
SMILES | [Ni]123([P](Oc4c2c(O[P]1(C(C)(C)C)C(C)(C)C)ccc4)(C(C)(C)C)C(C)(C)C)[H][BH2][H]3 |
Title of publication | Pincer-Ligated Nickel Hydridoborate Complexes: the Dormant Species in Catalytic Reduction of Carbon Dioxide with Boranes |
Authors of publication | Sumit Chakraborty; Jie Zhang; Yogi J. Patel; Jeanette A. Krause; Hairong Guan |
Journal of publication | Inorganic Chemistry |
Year of publication | 2013 |
Journal volume | 52 |
Pages of publication | 37 - 47 |
a | 8.287 ± 0.0002 Å |
b | 12.149 ± 0.0003 Å |
c | 13.4267 ± 0.0003 Å |
α | 100.274 ± 0.001° |
β | 95.653 ± 0.001° |
γ | 105.074 ± 0.002° |
Cell volume | 1269.32 ± 0.05 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0522 |
Residual factor for significantly intense reflections | 0.041 |
Weighted residual factors for significantly intense reflections | 0.1045 |
Weighted residual factors for all reflections included in the refinement | 0.1119 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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