Information card for entry 7035639

Structure parameters

• Formula: C38 H40 Mg N2 O4
• Calculated formula: C38 H40 Mg N2 O4
• SMILES: n1(c2ccccc2cc1c1ccccc1[O]1C)[Mg]12(n1c3ccccc3cc1c1ccccc1[O]2C)([O]1CCCC1)[O]1CCCC1
• Title of publication: Reactions of α-diimine-aluminum complexes with sodium alkynides: versatile structures of aluminum σ-alkynide complexes.
• Authors of publication: Zhao, Yanxia; Liu, Yanyan; Wu, Biao; Yang, Xiao-Juan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 30
• Pages of publication: 13671 - 13680
• a: 21.2856 ± 0.0016 Å
• b: 7.6356 ± 0.0006 Å
• c: 18.369 ± 0.0012 Å
• α: 90°
• β: 93.092 ± 0.006°
• γ: 90°
• Cell volume: 2981.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0773
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1411
• Weighted residual factors for all reflections included in the refinement: 0.1489
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No