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Information card for entry 4086412
Preview
Coordinates | 4086412.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H47 F6 Ni O P3 Ru S2 |
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Calculated formula | C40 H47 F6 Ni O P3 Ru S2 |
Title of publication | Thiolate-Bridged Nickel‒Iron and Nickel‒Ruthenium Complexes Relevant to the CO-Inhibited State of [NiFe]-Hydrogenase |
Authors of publication | Sun, Puhua; Yang, Dawei; Li, Ying; Zhang, Yahui; Su, Linan; Wang, Baomin; Qu, Jingping |
Journal of publication | Organometallics |
Year of publication | 2016 |
Journal volume | 35 |
Journal issue | 5 |
Pages of publication | 751 |
a | 19.3966 ± 0.0006 Å |
b | 13.4689 ± 0.0006 Å |
c | 33.8884 ± 0.0012 Å |
α | 90° |
β | 91.1632 ± 0.0018° |
γ | 90° |
Cell volume | 8851.5 ± 0.6 Å3 |
Cell temperature | 299 ± 2 K |
Ambient diffraction temperature | 299 ± 2 K |
Number of distinct elements | 8 |
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 | 0.06 |
Residual factor for significantly intense reflections | 0.055 |
Weighted residual factors for significantly intense reflections | 0.1563 |
Weighted residual factors for all reflections included in the refinement | 0.1595 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4086412.html
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