Information card for entry 4302126

Structure parameters

• Formula: C35.5 H53 Mg N3 O
• Calculated formula: C35.5 H52 Mg N3 O
• Title of publication: β-Diketiminato Calcium and Magnesium Amides; Model Complexes for Hydroamination Catalysis
• Authors of publication: Anthony G. M. Barrett; Ian J. Casely; Mark R. Crimmin; Michael S. Hill; Jennifer R. Lachs; Mary F. Mahon; Panayiotis A. Procopiou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 4445 - 4453
• a: 13.6587 ± 0.0001 Å
• b: 13.6723 ± 0.0002 Å
• c: 21.4226 ± 0.0004 Å
• α: 104.638 ± 0.001°
• β: 92.948 ± 0.001°
• γ: 117.902 ± 0.001°
• Cell volume: 3352.72 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1222
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for significantly intense reflections: 0.1603
• Weighted residual factors for all reflections included in the refinement: 0.1912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No