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Information card for entry 4312862
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Coordinates | 4312862.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | tetrakis(μ4-sulfido)tris(tricyclohexylphosphine)chloro-tetra-iron acetonitrile solvate |
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Formula | C56 H102 Cl Fe4 N P3 S4 |
Calculated formula | C56 H99 Cl Fe4 N P3 S4 |
Title of publication | Synthesis and Reactions of Cubane-Type Iron-Sulfur-Phosphine Clusters, Including Soluble Clusters of Nuclearities 8 and 16 |
Authors of publication | Hong-Cai Zhou; R. H. Holm |
Journal of publication | Inorganic Chemistry |
Year of publication | 2003 |
Journal volume | 42 |
Pages of publication | 11 - 21 |
a | 19.842 ± 0.002 Å |
b | 21.036 ± 0.003 Å |
c | 15.508 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 6473 ± 2 Å3 |
Cell temperature | 213 ± 2 K |
Ambient diffraction temperature | 213 ± 2 K |
Number of distinct elements | 7 |
Space group number | 62 |
Hermann-Mauguin space group symbol | P n m a |
Hall space group symbol | -P 2ac 2n |
Residual factor for all reflections | 0.0542 |
Residual factor for significantly intense reflections | 0.0343 |
Weighted residual factors for significantly intense reflections | 0.0858 |
Weighted residual factors for all reflections included in the refinement | 0.0951 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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