Information card for entry 7705387

Structure parameters

• Formula: C22 H32 F12 N2 O6 Sr
• Calculated formula: C22 H32 F12 N2 O6 Sr
• SMILES: [Sr]123456([N]7(CC[O]1CC[N]2(CC[O]3CC[O]4CC7)CC(O6)(C(F)(F)F)C(F)(F)F)CC(O5)(C(F)(F)F)C(F)(F)F)[O]1CCCC1
• Title of publication: Alkaline-earth complexes with macrocyclic-functionalised bis(phenolate)s and bis(fluoroalkoxide)s.
• Authors of publication: Hammoud, Joanna; Abou-Khalil, Fatima; Roisnel, Thierry; Dorcet, Vincent; Bour, Christophe; Gandon, Vincent; Lebœuf, David; Carpentier, Jean-François; Sarazin, Yann
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 37
• Pages of publication: 13017 - 13028
• a: 18.982 ± 0.002 Å
• b: 10.4417 ± 0.0012 Å
• c: 14.3738 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2848.9 ± 0.5 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0295
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0557
• Weighted residual factors for all reflections included in the refinement: 0.0571
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No