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Information card for entry 4318112
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Coordinates | 4318112.cif |
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Original paper (by DOI) | HTML |
Common name | none |
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Chemical name | Tris(tetraethylammonium) bis(ethanedithiolato)-(mu-4-sulfido) -bis(mu-3-dulfido)-hexakis(mu-2-sulfido)-tetra-iron-di-molybdenum dimethylformamide solvate |
Formula | C34 H82 Fe4 Mo2 N5 O2 S13 |
Calculated formula | C34 H82 Fe4 Mo2 N5 O2 S13 |
Title of publication | High-Nuclearity Sulfide-Rich Molybdenum-Iron-Sulfur Clusters: Reevaluation and Extension |
Authors of publication | Hong-Cai Zhou; Weiping Su; Catalina Achim; P. Venkateswara Rao; R. H. Holm |
Journal of publication | Inorganic Chemistry |
Year of publication | 2002 |
Journal volume | 41 |
Pages of publication | 3191 - 3201 |
a | 10.52 ± 0.002 Å |
b | 17.153 ± 0.004 Å |
c | 32.639 ± 0.007 Å |
α | 90° |
β | 98.833 ± 0.004° |
γ | 90° |
Cell volume | 5820 ± 2 Å3 |
Cell temperature | 213 ± 2 K |
Ambient diffraction temperature | 213 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0962 |
Residual factor for significantly intense reflections | 0.0889 |
Weighted residual factors for significantly intense reflections | 0.215 |
Weighted residual factors for all reflections included in the refinement | 0.2186 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.217 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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