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Information card for entry 4078138
Preview
Coordinates | 4078138.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C35 H39 Fe2 O6.5 P2 S2 |
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Calculated formula | C35 H36 Fe2 O6.5 P2 S2 |
Title of publication | Synthesis, Characterization, and Electrochemical Properties of Benzyloxy-Functionalized Diiron 1,3-Propanedithiolate Complexes Relevant to the Active Site of [FeFe]-Hydrogenases |
Authors of publication | Song, Li-Cheng; Gao, Wei; Luo, Xiang; Wang, Zhi-Xuan; Sun, Xiao-Jing; Song, Hai-Bin |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 8 |
Pages of publication | 3324 |
a | 9.0684 ± 0.0018 Å |
b | 37.231 ± 0.007 Å |
c | 11.977 ± 0.002 Å |
α | 90° |
β | 103.17 ± 0.03° |
γ | 90° |
Cell volume | 3937.4 ± 1.4 Å3 |
Cell temperature | 113 ± 2 K |
Ambient diffraction temperature | 113 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0555 |
Residual factor for significantly intense reflections | 0.0499 |
Weighted residual factors for significantly intense reflections | 0.1511 |
Weighted residual factors for all reflections included in the refinement | 0.1555 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.115 |
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/4078138.html
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