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Information card for entry 4071537
Preview
Coordinates | 4071537.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C99 H210 Mn2 Na O9 S7 Si6 |
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Calculated formula | C99 H210 Mn2 Na O9 S6.97 Si6 |
SMILES | C(#[O])[Mn]12([S]([Mn](S[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)([S]1[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)[S]2[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)(C#[O])C#[O].C(C)(C)(C)[Si](SSS[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C.[Na]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1 |
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 | 14.638 ± 0.0005 Å |
b | 14.638 ± 0.0005 Å |
c | 101.57 ± 0.007 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 18847.8 ± 1.6 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 7 |
Space group number | 148 |
Hermann-Mauguin space group symbol | R -3 :H |
Hall space group symbol | -R 3 |
Residual factor for all reflections | 0.1766 |
Residual factor for significantly intense reflections | 0.1075 |
Weighted residual factors for significantly intense reflections | 0.2847 |
Weighted residual factors for all reflections included in the refinement | 0.3175 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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