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Information card for entry 4120001
Preview
Coordinates | 4120001.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H72 B F4 N3 Ni0.75 P3 |
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Calculated formula | C36 H72 B F4 N3 Ni0.75 P3 |
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 | 25.7955 ± 0.0008 Å |
b | 25.7955 ± 0.0008 Å |
c | 25.7955 ± 0.0008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 17164.5 ± 0.9 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 220 |
Hermann-Mauguin space group symbol | I -4 3 d |
Hall space group symbol | I -4bd 2c 3 |
Residual factor for all reflections | 0.0732 |
Residual factor for significantly intense reflections | 0.0709 |
Weighted residual factors for significantly intense reflections | 0.2234 |
Weighted residual factors for all reflections included in the refinement | 0.225 |
Goodness-of-fit parameter for all reflections included in the refinement | 2.004 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/4120001.html
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