Information card for entry 7708042

Structure parameters

• Formula: C82 H118 Mg2 N4 O2 P2
• Calculated formula: C68 H102 Mg2 N4 O2 P2
• SMILES: P1(N2[Mg]3([O](c4c2cccc4)C)([N](=C(C=1)C)c1c(C(C)C)cccc1C(C)C)[H][Mg]12([O](c4c(N2P(C2CCCCC2)(C2CCCCC2)=CC(=[N]1c1c(C(C)C)cccc1C(C)C)C)cccc4)C)[H]3)(C1CCCCC1)C1CCCCC1
• Title of publication: Catalytic hydroboration of carbonyl derivatives by using phosphinimino amide ligated magnesium complexes.
• Authors of publication: Li, Min; Liu, Xinli; Cui, Dongmei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 37
• Pages of publication: 13037 - 13041
• a: 12.7679 ± 0.0004 Å
• b: 28.7777 ± 0.0008 Å
• c: 21.0706 ± 0.0006 Å
• α: 90°
• β: 93.528 ± 0.001°
• γ: 90°
• Cell volume: 7727.3 ± 0.4 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• 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: 0.0679
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No