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Information card for entry 4130756
Preview
Coordinates | 4130756.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H23 B F4 Fe N2 Ni O S2 |
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Calculated formula | C15 H23 B F4 Fe N2 Ni O S2 |
SMILES | [Ni]123[S]4[Fe]5678([S]1CC[N]13CC[N]2(CC4)CCC1)(C#[O])[cH]1[cH]5[cH]6[cH]7[cH]81.[B](F)(F)(F)[F-] |
Title of publication | Hemilabile Bridging Thiolates as Proton Shuttles in Bioinspired H<sub>2</sub> Production Electrocatalysts. |
Authors of publication | Ding, Shengda; Ghosh, Pokhraj; Lunsford, Allen M.; Wang, Ning; Bhuvanesh, Nattamai; Hall, Michael B.; Darensbourg, Marcetta Y. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2016 |
Journal volume | 138 |
Journal issue | 39 |
Pages of publication | 12920 - 12927 |
a | 25.518 ± 0.009 Å |
b | 7.333 ± 0.003 Å |
c | 22.821 ± 0.008 Å |
α | 90° |
β | 116.382 ± 0.004° |
γ | 90° |
Cell volume | 3826 ± 2 Å3 |
Cell temperature | 110.15 K |
Ambient diffraction temperature | 110.15 K |
Number of distinct elements | 9 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0563 |
Residual factor for significantly intense reflections | 0.0368 |
Weighted residual factors for significantly intense reflections | 0.0751 |
Weighted residual factors for all reflections included in the refinement | 0.0837 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4130756.html
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