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Information card for entry 4120002
Preview
Coordinates | 4120002.cif |
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Original paper (by DOI) | HTML |
Formula | C49 H97.5 B2 F8 N4.5 Ni P4 |
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Calculated formula | C49 H97.5 B2 F8 N4.5 Ni P4 |
Title of publication | Two Pathways for Electrocatalytic Oxidation of Hydrogen by a Nickel Bis(diphosphine) Complex with Pendant Amines in the Second Coordination Sphere |
Authors of publication | Jenny Y. Yang; Stuart E. Smith; Tianbiao Liu; William G. Dougherty; Wesley A. Hoffert; W. Scott Kassel; M. Rakowski DuBois; Daniel L. DuBois; R. Morris Bullock |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2013 |
Journal volume | 135 |
Pages of publication | 9700 - 9712 |
a | 13.5841 ± 0.0006 Å |
b | 22.1401 ± 0.0011 Å |
c | 25.5216 ± 0.0013 Å |
α | 68.802 ± 0.003° |
β | 81.733 ± 0.003° |
γ | 87.091 ± 0.003° |
Cell volume | 7082 ± 0.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 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 | 0.0929 |
Residual factor for significantly intense reflections | 0.0728 |
Weighted residual factors for significantly intense reflections | 0.185 |
Weighted residual factors for all reflections included in the refinement | 0.1913 |
Goodness-of-fit parameter for all reflections included in the refinement | 2.081 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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