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Information card for entry 4313653
Preview
Coordinates | 4313653.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C11 H5 Mn Mo O6 S2 |
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Calculated formula | C11 H5 Mn Mo O6 S2 |
SMILES | [Mn]12([Mo]34567([S]1C(=O)[S]23)([cH]1[cH]4[cH]5[cH]6[cH]71)(C#[O])C#[O])(C#[O])(C#[O])C#[O] |
Title of publication | New Disulfido Molybdenum-Manganese Complexes Exhibit Facile Addition of Small Molecules to the Sulfur Atoms |
Authors of publication | Richard D. Adams; Burjor Captain; O-Sung Kwon; Shaobin Miao |
Journal of publication | Inorganic Chemistry |
Year of publication | 2003 |
Journal volume | 42 |
Pages of publication | 3356 - 3365 |
a | 8.9976 ± 0.0004 Å |
b | 16.339 ± 0.0008 Å |
c | 19.9004 ± 0.0009 Å |
α | 90° |
β | 98.984 ± 0.001° |
γ | 90° |
Cell volume | 2889.7 ± 0.2 Å3 |
Cell temperature | 294 ± 2 K |
Ambient diffraction temperature | 294 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0612 |
Residual factor for significantly intense reflections | 0.0423 |
Weighted residual factors for significantly intense reflections | 0.0728 |
Weighted residual factors for all reflections included in the refinement | 0.0783 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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