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Information card for entry 7060931
Preview
Coordinates | 7060931.cif |
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Original paper (by DOI) | HTML |
Formula | C31 H23 Fe2 O6 P S2 |
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Calculated formula | C31 H23 Fe2 O6 P S2 |
Title of publication | Phosphine-substituted diiron complexes Fe2(μ-Rodt)(CO)6−n(PPh3)n (R = Ph, Me, H and n = 1, 2) featuring desymmetrized oxadithiolate bridges: structures, protonation, and electrocatalysis |
Authors of publication | Gu, Xiao-Li; Li, Jian-Rong; Jin, Bo; Guo, Yang; Jing, Xing-Bin; Zhao, Pei-Hua |
Journal of publication | New Journal of Chemistry |
Year of publication | 2021 |
Journal volume | 45 |
Journal issue | 38 |
Pages of publication | 17996 - 18007 |
a | 9.0226 ± 0.0005 Å |
b | 10.2799 ± 0.0006 Å |
c | 17.7088 ± 0.0011 Å |
α | 96.927 ± 0.003° |
β | 92.816 ± 0.003° |
γ | 115.474 ± 0.002° |
Cell volume | 1462.63 ± 0.15 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0608 |
Residual factor for significantly intense reflections | 0.0382 |
Weighted residual factors for significantly intense reflections | 0.0901 |
Weighted residual factors for all reflections included in the refinement | 0.1008 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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