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Information card for entry 7027723
Preview
Coordinates | 7027723.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C38 H31 Fe3 O6 P3 S |
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Calculated formula | C38 H31 Fe3 O6 P3 S |
SMILES | [Fe]1234([Fe]56([Fe]1([P]5(c1ccccc1)c1ccccc1)([P]2(c1ccccc1)c1ccccc1)([S]36)(C#[O])C#[O])(C4=O)(C#[O])C#[O])([P](C)(C)c1ccccc1)C#[O] |
Title of publication | Synthesis of a sulfido-capped triiron cluster with bridging phosphido ligands and its reactions with alkynes, phosphites and phosphines † |
Authors of publication | Choi, Nick; Conole, Gráinne; Kessler, Margalith; King, Jason D.; Mays, Martin J.; McPartlin, Mary; Pateman, Giles E.; Solan, Gregory A. |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 1999 |
Journal issue | 22 |
Pages of publication | 3941 |
a | 12.574 ± 0.002 Å |
b | 16.1199 ± 0.0013 Å |
c | 18.8859 ± 0.0015 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3828 ± 0.7 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 570 ± 2 K |
Number of distinct elements | 6 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0818 |
Residual factor for significantly intense reflections | 0.0473 |
Weighted residual factors for significantly intense reflections | 0.076 |
Weighted residual factors for all reflections included in the refinement | 0.0893 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
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/7027723.html
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