Information card for entry 7701678

Structure parameters

• Formula: C45 H76 Ba N4 O4 Si2
• Calculated formula: C45 H76 Ba N4 O4 Si2
• 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: 21.046 ± 0.003 Å
• b: 18.864 ± 0.002 Å
• c: 24.456 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9709 ± 2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1696
• Residual factor for significantly intense reflections: 0.1495
• Weighted residual factors for significantly intense reflections: 0.3152
• Weighted residual factors for all reflections included in the refinement: 0.3255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.253
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No