Information card for entry 7117647

Structure parameters

• Formula: C40 H94 K Mn O10 Si6
• Calculated formula: C40 H94 K Mn O10 Si6
• SMILES: C([Mn]C([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C.C1C[O]2CC[O]3CC[O]4CC[O]5CC[O]1[K]23451678[O]2CC[O]1CC[O]6CC[O]7CC[O]8CC2
• Title of publication: Salts of the two-coordinate homoleptic manganese(I) dialkyl anion [Mn{C(SiMe3)3}2]^-^ with quenched orbital magnetism
• Authors of publication: C.-Y. Lin; J. C. Fettinger; N. F. Chilton; A. Formanuik; F. Grandjean; G. J. Long; P. P. Power
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 13275
• a: 18.4983 ± 0.001 Å
• b: 14.4287 ± 0.0008 Å
• c: 21.2812 ± 0.0011 Å
• α: 90°
• β: 90.821 ± 0.001°
• γ: 90°
• Cell volume: 5679.5 ± 0.5 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0351
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.0751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No