Information card for entry 7710751

Structure parameters

• Chemical name: Magnesium bis(2-thiopyridyl)methanide tetraphenyldiphosphine
• Formula: C46 H38 Mg N4 P2 S4
• Calculated formula: C46 H38 Mg N4 P2 S4
• 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: 9.69497 ± 0.00018 Å
• b: 16.4661 ± 0.0003 Å
• c: 13.4773 ± 0.0002 Å
• α: 90°
• β: 108.214 ± 0.0019°
• γ: 90°
• Cell volume: 2043.69 ± 0.07 ų
• Cell temperature: 100.02 ± 0.14 K
• Ambient diffraction temperature: 100.02 ± 0.14 K
• Number of distinct elements: 6
• 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: 0.0359
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No