Information card for entry 7102441

Structure parameters

• Common name: (Aquacesium(18-crown-6)) imidobis(diphenylphosphinate-O,O')
• Chemical name: [Aquacesium(18-crown-6)] imidobis(diphenylphosphinate-O,O')
• Formula: C36 H46 Cs N O9 P2
• Calculated formula: C36 H46 Cs N O9 P2
• SMILES: [Cs]123456([O]=P(N=P(O1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([O]1CC[O]3CC[O]5CC[O]6CC[O]2CC[O]4CC1)[OH2]
• Title of publication: A powerful novel strategy for the preparation of discrete inorganic carbon-free rings containing alkaline cations.
• Authors of publication: Hernández-Arganis, Michelle; Hernández-Ortega, Simón; Toscano, Rubén A; García-Montalvo, Verónica; Cea-Olivares, Raymundo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 3
• Pages of publication: 310 - 311
• a: 10.059 ± 0.001 Å
• b: 15.769 ± 0.003 Å
• c: 24.871 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3945 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.092
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1424
• Weighted residual factors for all reflections included in the refinement: 0.1797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No