Information card for entry 4089217

Structure parameters

• Formula: C42 H72 Ca2 F12 N4 O4 Si4
• Calculated formula: C42 H72 Ca2 F12 N4 O4 Si4
• SMILES: [Ca]12(N([SiH](C)C)[SiH](C)C)([O]3CCCC3)[O](C(C(F)(F)F)(C(F)(F)F)C[N]1(C)CCc1ccccc1)[Ca]1(N([SiH](C)C)[SiH](C)C)([O]3CCCC3)[O]2C(C(F)(F)F)(C(F)(F)F)C[N]1(C)CCc1ccccc1
• Title of publication: π Ligands in Alkaline Earth Complexes
• Authors of publication: Roşca, Sorin-Claudiu; Caytan, Elsa; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-François; Sarazin, Yann
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 7
• Pages of publication: 1269
• a: 11.0188 ± 0.0008 Å
• b: 13.1073 ± 0.0009 Å
• c: 13.1428 ± 0.001 Å
• α: 112.505 ± 0.003°
• β: 98.047 ± 0.003°
• γ: 109.255 ± 0.003°
• Cell volume: 1576.5 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0814
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1705
• Weighted residual factors for all reflections included in the refinement: 0.1836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No