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Information card for entry 4317192
Preview
Coordinates | 4317192.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C45 H78 Fe4 O P3 S4 Si |
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Calculated formula | C45 H78 Fe4 O P3 S4 Si |
SMILES | CC(C)[P](C(C)C)(C(C)C)[Fe]12345[Fe]6789(O[Si](c%10ccccc%10)(c%10ccccc%10)c%10ccccc%10)[S]1[Fe]1%1048([P](C(C)C)(C(C)C)C(C)C)[S]6[Fe]59%10([P](C(C)C)(C(C)C)C(C)C)([S]27)[S]31 |
Title of publication | Stabilization of 3:1 Site-Differentiated Cubane-Type Clusters in the [Fe4S4]1+ Core Oxidation State by Tertiary Phosphine Ligation: Synthesis, Core Structural Diversity, and S= 1/2 Ground States |
Authors of publication | Liang Deng; Amit Majumdar; Wayne Lo; R. H. Holm |
Journal of publication | Inorganic Chemistry |
Year of publication | 2010 |
Journal volume | 49 |
Pages of publication | 11118 - 11126 |
a | 16.1863 ± 0.0007 Å |
b | 16.1863 ± 0.0007 Å |
c | 25.7751 ± 0.0018 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 5848.3 ± 0.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 165 |
Hermann-Mauguin space group symbol | P -3 c 1 |
Hall space group symbol | -P 3 2"c |
Residual factor for all reflections | 0.0265 |
Residual factor for significantly intense reflections | 0.0239 |
Weighted residual factors for significantly intense reflections | 0.0755 |
Weighted residual factors for all reflections included in the refinement | 0.0773 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.206 |
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/4317192.html
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Users of the data should acknowledge the original authors of the
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