Information card for entry 7701677

Structure parameters

• Formula: C49 H62 Ba N3 O4 P
• Calculated formula: C49 H62 Ba N3 O4 P
• Title of publication: Barium complexes with crown-ether-functionalised amidinate and iminoanilide ligands for the hydrophosphination of vinylarenes.
• Authors of publication: Le Coz, Erwann; Roueindeji, Hanieh; Roisnel, Thierry; Dorcet, Vincent; Carpentier, Jean-François; Sarazin, Yann
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 25
• Pages of publication: 9173 - 9180
• a: 14.4189 ± 0.0015 Å
• b: 17.878 ± 0.002 Å
• c: 18.9056 ± 0.0019 Å
• α: 90°
• β: 108.664 ± 0.003°
• γ: 90°
• Cell volume: 4617.2 ± 0.8 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.0959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No