Information card for entry 4087017

Structure parameters

• Formula: C48 H100 Mg2 N8 O4
• Calculated formula: C48 H100 Mg2 N8 O4
• SMILES: [Mg]123([O]4C5(CCCCC5)C[N]5(C)CC[N]([Mg]45(OC4(CCCCC4)CN(C)CCN(C)C)[O]1C1(CCCCC1)C[N]2(C)CC[N]3(C)C)(C)C)OC1(CCCCC1)CN(C)CCN(C)C
• Title of publication: N,N,O-Tridentate Mixed Lithium‒Magnesium and Lithium‒Aluminum Complexes: Synthesis, Characterization, and Catalytic Activities
• Authors of publication: Hua, Yupeng; Guo, Zhiqiang; Han, Hongfei; Wei, Xuehong
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 4
• Pages of publication: 877
• a: 11.4524 ± 0.0006 Å
• b: 21.4998 ± 0.0012 Å
• c: 11.8603 ± 0.0007 Å
• α: 90°
• β: 112.366 ± 0.002°
• γ: 90°
• Cell volume: 2700.6 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0815
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No