Information card for entry 4072696

Structure parameters

• Formula: C46 H55 D3 N3
• Calculated formula: C46 H55 D3 N3
• Title of publication: Selective Alkylation of 2,6-Diiminopyridine Ligands by Dialkylmanganese Reagents: A “One-Pot” Synthetic Methodology
• Authors of publication: Cámpora, Juan; Pérez, Carmen M.; Rodríguez-Delgado, Antonio; Naz, A. Marcos; Palma, Pilar; Álvarez, Eleuterio
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 4
• Pages of publication: 1104
• a: 8.6811 ± 0.0006 Å
• b: 15.1172 ± 0.0014 Å
• c: 16.2449 ± 0.0016 Å
• α: 73.095 ± 0.003°
• β: 85.004 ± 0.003°
• γ: 77.59 ± 0.004°
• Cell volume: 1991.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1307
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.182
• Weighted residual factors for all reflections included in the refinement: 0.2133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No