Information card for entry 4089218

Structure parameters

• Formula: C42 H84 Ca3 F12 N6 O2 Si8
• Calculated formula: C42 H84 Ca3 F12 N6 O2 Si8
• SMILES: [Ca]12([O]3[Ca]4(N([SiH](C)C)[SiH](C)C)([N]1([Si]([H]4)(C)C)[SiH](C)C)[N](CCc1ccccc1)(C)CC3(C(F)(F)F)C(F)(F)F)[O]1[Ca]3([N]2([SiH](C)C)[Si]([H]3)(C)C)(N([SiH](C)C)[SiH](C)C)[N](CCc2ccccc2)(C)CC1(C(F)(F)F)C(F)(F)F
• 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: 11.3294 ± 0.0007 Å
• b: 16.6381 ± 0.0012 Å
• c: 18.2154 ± 0.0013 Å
• α: 105.203 ± 0.003°
• β: 92.382 ± 0.002°
• γ: 91.935 ± 0.002°
• Cell volume: 3307 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0527
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No