Information card for entry 7709106

Structure parameters

• Chemical name: [{N(2,4,6-Me-C6H2)}2(CMe)2CH]2Mg2(tBuCP)2
• Formula: C56 H76 Mg2 N4 P2
• Calculated formula: C56 H76 Mg2 N4 P2
• SMILES: [Mg]1234(N(C(=CC(=[N]1c1c(cc(cc1C)C)C)C)C)c1c(cc(cc1C)C)C)[P]15[Mg]678([N](=C(C=C(N6c6c(cc(cc6C)C)C)C)C)c6c(cc(cc6C)C)C)[P]2(=[C]317C(C)(C)C)[C]4=58C(C)(C)C
• Title of publication: Reduction of tert-butylphosphaalkyne and trimethylsilylnitrile with magnesium(I) dimers
• Authors of publication: Wilson, Daniel; Jones, Dafydd; Smith, Cory; Mehta, Meera; Jones, Cameron; Goicoechea, Jose M.
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 14.9573 ± 0.0002 Å
• b: 18.0124 ± 0.0002 Å
• c: 19.909 ± 0.0002 Å
• α: 90°
• β: 92.617 ± 0.001°
• γ: 90°
• Cell volume: 5358.23 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0495
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No