Information card for entry 7710755

Structure parameters

• Chemical name: Magnesium bis(2-thiopyridide) DME adduct
• Formula: C14 H18 Mg N2 O2 S2
• Calculated formula: C14 H18 Mg N2 O2 S2
• SMILES: S1c2[n](cccc2)[Mg]231(Sc1[n]3cccc1)[O](CC[O]2C)C
• Title of publication: Synthesis, Characterisation and Reactivity of Group 2 Complexes with a Thiopyridyl Scorpionate Ligand
• Authors of publication: Stevens, Matthew Philip; Spray, Emily; Vitorica-Yrzebal, Inigo; Singh, Kuldip; Timmermann, Vanessa M.; Sotorrios, Lia; Macgregor, Stuart Alan; Ortu, Fabrizio
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 9.627 ± 0.0003 Å
• b: 12.5306 ± 0.0005 Å
• c: 14.0589 ± 0.0005 Å
• α: 90°
• β: 102.135 ± 0.002°
• γ: 90°
• Cell volume: 1658.06 ± 0.1 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0432
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No