Information card for entry 7046879

Structure parameters

• Formula: C44 H58 Mg N6 S2 Si3
• Calculated formula: C44 H58 Mg N6 S2 Si3
• Title of publication: Insertion of CS₂ into the Mg-H bond: synthesis and structural characterization of the magnesium dithioformate complex, [Tism^PrⁱBenz]Mg(κ²-S₂CH).
• Authors of publication: Rauch, Michael; Parkin, Gerard
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 36
• Pages of publication: 12596 - 12605
• a: 9.6398 ± 0.0006 Å
• b: 18.9661 ± 0.0011 Å
• c: 12.4507 ± 0.0007 Å
• α: 90°
• β: 100.844 ± 0.0008°
• γ: 90°
• Cell volume: 2235.7 ± 0.2 ų
• Cell temperature: 158 ± 2 K
• Ambient diffraction temperature: 158 ± 2 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0446
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.097
• 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