Information card for entry 7044454

Structure parameters

• Formula: C30 H60 Ca2 F12 N4 O4 Si4
• Calculated formula: C30 H60 Ca2 F12 N4 O4 Si4
• Title of publication: Tethered cationic alkaline earth - olefin complexes
• Authors of publication: Rosca, Sorin-Claudiu; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-Francois; Sarazin, Yann
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 10.4222 ± 0.0003 Å
• b: 16.7411 ± 0.0006 Å
• c: 14.0517 ± 0.0005 Å
• α: 90°
• β: 102.744 ± 0.001°
• γ: 90°
• Cell volume: 2391.33 ± 0.14 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: 0.0743
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.1255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No