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Information card for entry 4071538
Preview
Coordinates | 4071538.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H70 Mn Na O6 S2 Si2 |
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Calculated formula | C36 H70 Mn Na O6 S2 Si2 |
SMILES | [Mn]1([S]([Na]([S]1[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)([O]1CCCC1)[O]1CCCC1)[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)(C#[O])(C#[O])(C#[O])C#[O] |
Title of publication | Mixed-Valence Manganese Carbonyl Complexes with Supersilyl Thiolate Ligands: [(OC)4Mn(μ-SSitBu3)2Mn(THF)X] (X = Br, SSitBu3) and Na(THF)6[(OC)3Mn(μ-SSitBu3)3MnSSitBu3] |
Authors of publication | Kückmann, Theresa I.; Schödel, Frauke; Sänger, Inge; Bolte, Michael; Wagner, Matthias; Lerner, Hans-Wolfram |
Journal of publication | Organometallics |
Year of publication | 2008 |
Journal volume | 27 |
Journal issue | 13 |
Pages of publication | 3272 |
a | 23.1442 ± 0.0011 Å |
b | 17.4691 ± 0.0006 Å |
c | 23.2056 ± 0.0012 Å |
α | 90° |
β | 104.506 ± 0.004° |
γ | 90° |
Cell volume | 9083.1 ± 0.7 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0884 |
Residual factor for significantly intense reflections | 0.0566 |
Weighted residual factors for significantly intense reflections | 0.1214 |
Weighted residual factors for all reflections included in the refinement | 0.1345 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.957 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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