Information card for entry 1552552

Structure parameters

• Chemical name: Bis[2-(dimethylamino-κ<i>N</i>)-α,α-diphenylbenzenemethanolato-κ<i>O</i>](tetrahydrofuran-κ<i>O</i>)magnesium(II)
• Formula: C46 H48 Mg N2 O3
• Calculated formula: C46 H48 Mg N2 O3
• SMILES: [Mg]12(OC(c3c([N]1(C)C)cccc3)(c1ccccc1)c1ccccc1)(OC(c1c([N]2(C)C)cccc1)(c1ccccc1)c1ccccc1)[O]1CCCC1
• Title of publication: Bis[2-(dimethylamino-κ<i>N</i>)-α,α-diphenylbenzenemethanolato-κ<i>O</i>](tetrahydrofuran-κ<i>O</i>)magnesium(II)
• Authors of publication: Al-Masri, Harbi Tomah
• Journal of publication: IUCrData
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 10
• Pages of publication: x191412
• a: 9.5014 ± 0.0015 Å
• b: 13.801 ± 0.002 Å
• c: 15.834 ± 0.003 Å
• α: 66.375 ± 0.004°
• β: 89.911 ± 0.004°
• γ: 81.735 ± 0.004°
• Cell volume: 1878.9 ± 0.5 ų
• Cell temperature: 208 ± 2 K
• Ambient diffraction temperature: 208 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1618
• Residual factor for significantly intense reflections: 0.0866
• Weighted residual factors for significantly intense reflections: 0.2172
• Weighted residual factors for all reflections included in the refinement: 0.25
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No