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Information card for entry 4122634
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Coordinates | 4122634.cif |
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Original paper (by DOI) | HTML |
Common name | Cp'2Ni2Br2 |
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Formula | C34 H58 Br2 Ni2 |
Calculated formula | C34 H58 Br1.996 Ni2 |
Title of publication | An "Intermediate Spin" Nickel Hydride Complex Stemming from Delocalized Ni2(μ-H)2 Bonding. |
Authors of publication | Yao, Shu A.; Corcos, Amanda R.; Infante, Ivan; Hillard, Elizabeth A.; Clérac, Rodolphe; Berry, John F. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2014 |
Journal volume | 136 |
Journal issue | 39 |
Pages of publication | 13538 - 13541 |
a | 12.5016 ± 0.0003 Å |
b | 18.0745 ± 0.0004 Å |
c | 20.0716 ± 0.0005 Å |
α | 72.074 ± 0.001° |
β | 88.776 ± 0.001° |
γ | 84.763 ± 0.001° |
Cell volume | 4297.09 ± 0.18 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0804 |
Residual factor for significantly intense reflections | 0.035 |
Weighted residual factors for significantly intense reflections | 0.0633 |
Weighted residual factors for all reflections included in the refinement | 0.0689 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.772 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4122634.html
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