Information card for entry 7236807

Structure parameters

• Formula: C128 H183 Li N41 Ni4 O66.5 P8
• Calculated formula: C128 H120 Li N32 Ni4 O23 P8
• Title of publication: Altering polarization attributes in ferroelectric metallo-cavitands by varying hydrated alkali-metal guest cations
• Authors of publication: Srivastava, Anant Kumar; Vijayakanth, Thangavel; Divya, Pillutla; Praveenkumar, B.; Steiner, Alexander; Boomishankar, Ramamoorthy
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 29
• Pages of publication: 7352
• a: 24.222 ± 0.007 Å
• b: 24.222 ± 0.007 Å
• c: 17.62 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10338 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 97
• Hermann-Mauguin space group symbol: I 4 2 2
• Hall space group symbol: I 4 2
• Residual factor for all reflections: 0.1889
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for significantly intense reflections: 0.1823
• Weighted residual factors for all reflections included in the refinement: 0.2468
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No