Information card for entry 7704970

Structure parameters

• Formula: C54 H82 Ba N4 O Si2
• Calculated formula: C54 H82.0008 Ba N4 O Si2
• Title of publication: A versatile nitrogen ligand for alkaline-earth chemistry.
• Authors of publication: Chapple, Peter M.; Cordier, Marie; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-François; Sarazin, Yann
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 34
• Pages of publication: 11878 - 11889
• a: 13.4812 ± 0.0004 Å
• b: 18.9373 ± 0.0007 Å
• c: 22.0367 ± 0.0008 Å
• α: 90°
• β: 100.342 ± 0.001°
• γ: 90°
• Cell volume: 5534.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0661
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1247
• Weighted residual factors for all reflections included in the refinement: 0.1334
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No