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Information card for entry 7053349
Preview
Coordinates | 7053349.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H4 Mn N O13 Ru3 S |
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Calculated formula | C18 H4 Mn N O13 Ru3 S |
SMILES | [Ru]1([Ru]23([Ru]41([Mn]2([n]1c([S]34)cccc1)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])(C#[O])C#[O] |
Title of publication | The rational synthesis of tetranuclear heterometallic butterfly clusters: reactions of [M2(CO)6(μ-pyS)2] (M = Re, Mn) with group VIII metal carbonyls |
Authors of publication | Ghosh, Shishir; Khanam, Kamrun N.; Hossain, G. M. Golzar; Haworth, Daniel T.; Lindeman, Sergey V.; Hogarth, Graeme; Kabir, Shariff E. |
Journal of publication | New Journal of Chemistry |
Year of publication | 2010 |
Journal volume | 34 |
Journal issue | 9 |
Pages of publication | 1875 |
a | 8.5181 ± 0.0003 Å |
b | 10.1387 ± 0.0004 Å |
c | 15.1751 ± 0.0006 Å |
α | 70.434 ± 0.002° |
β | 83.813 ± 0.003° |
γ | 88.009 ± 0.005° |
Cell volume | 1227.69 ± 0.08 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0335 |
Residual factor for significantly intense reflections | 0.027 |
Weighted residual factors for significantly intense reflections | 0.0716 |
Weighted residual factors for all reflections included in the refinement | 0.0744 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.125 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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structural data.