Information card for entry 7105938

Structure parameters

• Formula: C134 H188 Br In4 Li17 O14.5 P12
• Calculated formula: C134.2 H184.2 Br In4 Li17.03 O14.52 P12
• Title of publication: Confinement of halide ions within homologous inverse coordination hosts; modification of halide-ion selectivity
• Authors of publication: Felipe Garcia; Robert J. Less; Mary McPartlin; Annette Michalski; Robert E. Mulvey; Vesal Naseri; Matthew Stead; Ana Moran de Vega; Dominic S. Wright
• Journal of publication: Chemical Communications
• Year of publication: 2011
• Journal volume: 47
• Journal issue: 6
• Pages of publication: 1821 - 1823
• a: 35.11 ± 0.004 Å
• b: 35.11 ± 0.004 Å
• c: 35.11 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 43281 ± 9 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• Space group number: 219
• Hermann-Mauguin space group symbol: F -4 3 c
• Hall space group symbol: F -4a 2 3
• Residual factor for all reflections: 0.1028
• Residual factor for significantly intense reflections: 0.0703
• Weighted residual factors for significantly intense reflections: 0.1838
• Weighted residual factors for all reflections included in the refinement: 0.2077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No