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Information card for entry 4325526
Preview
Coordinates | 4325526.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H40 B Fe3 I Mo N6 P2 S4 |
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Calculated formula | C21 H40 B Fe3 I Mo N6 P2 S4 |
SMILES | I[Fe]12345[Mo]6789%10%11([Fe]%12%131([Fe]26([S]4%12)([S]58)([S]9%13)[P](CC)(CC)CC)([S]37)[P](CC)(CC)CC)[n]1n(ccc1)[BH](n1[n]%10ccc1)n1[n]%11ccc1 |
Title of publication | The [MoFe3S4]2+ Oxidation State: Synthesis, Substitution Reactions, and Structures of Phosphine-Ligated Cubane-Type Clusters with the S = 2 Ground State |
Authors of publication | Bin Xi; R. H. Holm |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 6280 - 6288 |
a | 15.2679 ± 0.0013 Å |
b | 16.2173 ± 0.0013 Å |
c | 28.031 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 6940.6 ± 1 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 9 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0489 |
Residual factor for significantly intense reflections | 0.0318 |
Weighted residual factors for significantly intense reflections | 0.066 |
Weighted residual factors for all reflections included in the refinement | 0.0728 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
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/4325526.html
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