Information card for entry 4083355

Structure parameters

• Formula: C24 H52 Ca2 F12 N4 O4 Si4
• Calculated formula: C24 H52 Ca2 F12 N4 O4 Si4
• SMILES: [Ca]123([O](C)CC[N]1(C)CC(C(F)(F)F)(C(F)(F)F)[O]2[Ca]12([O](C)CC[N]1(C)CC(C(F)(F)F)(C(F)(F)F)[O]32)N([SiH](C)C)[SiH](C)C)N([SiH](C)C)[SiH](C)C
• Title of publication: Potassium and Well-Defined Neutral and Cationic Calcium Fluoroalkoxide Complexes: Structural Features and Reactivity
• Authors of publication: Roşca, Sorin-Claudiu; Roisnel, Thierry; Dorcet, Vincent; Carpentier, Jean-François; Sarazin, Yann
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 20
• Pages of publication: 5630
• a: 9.1166 ± 0.0004 Å
• b: 10.2197 ± 0.0004 Å
• c: 12.6564 ± 0.0006 Å
• α: 79.221 ± 0.002°
• β: 89.078 ± 0.002°
• γ: 67.03 ± 0.002°
• Cell volume: 1064.42 ± 0.08 ų
• 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: 0.038
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No