Information card for entry 4340208

Structure parameters

• Formula: C36 H66 B2 Li2 Mg N4 O2
• Calculated formula: C36 H66 B2 Li2 Mg N4 O2
• Title of publication: Syntheses and structures of magnesium and zinc boraamidinates: EPR and DFT investigations of Li, Mg, Zn, B, and In complexes of the [PhB(NtBu)2].- anion radical.
• Authors of publication: Chivers, Tristram; Eisler, Dana J.; Fedorchuk, Chantall; Schatte, Gabriele; Tuononen, Heikki M.; Boeré, René T
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 5
• Pages of publication: 2119 - 2131
• a: 9.977 ± 0.002 Å
• b: 17.347 ± 0.004 Å
• c: 24.129 ± 0.005 Å
• α: 90°
• β: 92 ± 0.03°
• γ: 90°
• Cell volume: 4173.5 ± 1.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0721
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1166
• Weighted residual factors for all reflections included in the refinement: 0.1291
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No